Datasets:

Chris-young-2004
/

PepSpecBench

sequence stringlengths 6 40	original_sequence stringlengths 6 40	precursor_mz float64 300 1.79k	precursor_intensity null	charge int64 2 5	retention_time float64 1.09 14k	mz_array listlengths 14 1.83k	intensity_array listlengths 14 1.83k	raw_file stringclasses 200 values	scan_number int64 4 94.3k	title stringlengths 33 107	instrument stringclasses 1 value	collision_energy int64 25 25	fragmentation stringclasses 1 value	score int64 101 101	normalized_sequence stringlengths 6 40	naked_sequence stringlengths 6 40	ptm_bucket stringclasses 3 values	has_ptm bool 2 classes	sample_key int64 1,428B 1,152,917,660B	intensities_raw listlengths 234 234
ATGAATPK	ATGAATPK	358.699827	null	2	600.561	[ 100.07019, 100.07603, 101.07157, 110.06026, 111.04433, 112.07517, 113.06023, 116.06999, 118.0862, 127.08659, 129.05414, 129.06509, 129.10236, 130.04982, 130.08592, 131.08127, 141.06519, 145.0856, 145.09694, 146.10005, 147.07637, 147.1125, 151.04979, 154.08533, 155.080...	[ 1674.9, 34256.5, 4504.6, 13711.3, 1153.9, 1320.2, 1212.5, 1216.8, 2056.1, 12362.6, 1742.1, 2109.6, 11806.2, 1950.4, 4779.1, 2601.5, 5420.7, 2011.2, 48126.8, 1522.1, 2259.3, 11545.5, 1334, 4787.6, 11585.1, 2809.4, 9827.3, 1231.7, 1968.9, 4968.1, 4987.6, 2...	SulfenM_RKO_LCA_A01	1,935	SulfenM_RKO_LCA_A01.mzXML:scan:1935	Orbitrap	25	HCD	101	ATGAATPK	ATGAATPK	null	false	743,574,775,491,423,600	[ 0, 0, 0, 0.3333352208137512, 0, 0, 0.06501002609729767, 0, 0, 0.09654957056045532, 0.01881568506360054, 0.06353608518838882, 0, 0, 0, 0, 0, 0, 0, 0, 0, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1...
ATGAATPK	ATGAATPK	358.699657	null	2	620.789	[ 100.07587, 101.07903, 110.06021, 110.0705, 111.0425, 115.03744, 118.08643, 127.0862, 129.0654, 129.10237, 130.04932, 131.0817, 145.08568, 145.09683, 146.09999, 147.07544, 147.11172, 151.05022, 155.08084, 157.08328, 159.07643, 160.26859, 171.112, 171.13684, 173.09161, ...	[ 24475.6, 1486.3, 11062.3, 1519.6, 1160, 1369.2, 2072.3, 9499.3, 2014.4, 10731.4, 1719.4, 1133.9, 1773.1, 37627, 1934.1, 1757.2, 5026.4, 1206.2, 8583.4, 1807, 5713.3, 1279.7, 1727.3, 4006.6, 18939.9, 1245.1, 1762.2, 1375.7, 5655.6, 4823.6, 1480.1, 10239.3...	SulfenM_RKO_LCA_A01	2,001	SulfenM_RKO_LCA_A01.mzXML:scan:2001	Orbitrap	25	HCD	101	ATGAATPK	ATGAATPK	null	false	743,574,775,491,423,600	[ 0, 0, 0, 0.38038039207458496, 0, 0, 0.035345036536455154, 0, 0, 0.11142954230308533, 0.024224774911999702, 0.029850177466869354, 0, 0, 0, 0, 0, 0, 0, 0, 0, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, ...
ATGAATPK	ATGAATPK	358.69996	null	2	641.949	[ 100.07619, 110.05997, 122.08089, 127.08617, 129.1019, 132.64038, 133.32085, 145.04904, 145.09718, 147.11215, 151.14525, 152.85042, 155.08066, 157.08357, 159.07651, 171.13777, 173.09157, 185.16548, 199.05746, 212.10219, 223.68872, 226.15454, 242.16846, 244.1651, 245.16...	[ 10243.1, 4532.5, 1678.3, 1874.3, 4490.6, 1218.2, 1108.8, 1400, 14133.5, 4169.9, 1206.9, 1330, 1460.6, 3831.4, 1325.7, 1858.4, 7702.8, 2115.5, 2225.6, 2078.3, 1199.4, 2241.1, 1414.3, 25386.6, 2707.8, 1102.8, 1262.9, 1331.1, 1350.1, 1795.5, 1800.9, 1741.1,...	SulfenM_RKO_LCA_A01	2,069	SulfenM_RKO_LCA_A01.mzXML:scan:2069	Orbitrap	25	HCD	101	ATGAATPK	ATGAATPK	null	false	743,574,775,491,423,600	[ 0, 0, 0, 0.30341991782188416, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -...
IVEM[UNIMOD:35]STSK	IVEM+15.995STSK	455.730768	null	2	953.902	[ 104.83511, 107.96722, 118.10097, 129.05406, 129.10199, 130.08623, 133.98499, 138.88319, 147.11205, 153.50078, 164.91959, 182.08176, 185.1647, 186.16728, 205.91394, 212.13927, 213.15965, 216.13313, 230.14845, 234.14325, 239.16069, 241.93431, 257.09848, 259.07776, 264.2...	[ 1090.2, 1344.2, 1247.4, 1700.4, 7839.7, 2031.3, 2200.1, 1226.1, 1462, 1205, 1799, 1165.6, 47091.1, 2593.1, 4674.4, 2282.6, 10314.5, 1389.9, 1430.1, 2056.6, 5167, 1377.6, 5168.6, 1502.1, 1336.4, 3031.3, 1486.5, 5130.5, 7171.9, 2965.3, 5333.1, 8085.7, 14...	SulfenM_RKO_LCA_A01	3,086	SulfenM_RKO_LCA_A01.mzXML:scan:3086	Orbitrap	25	HCD	101	IVEM[UNIMOD:35]STSK	IVEMSTSK	ox	true	858,516,464,847,825,800	[ 0, 0, 0, 0.34105074405670166, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -...
TSATVGPK	TSATVGPK	380.713315	null	2	1,026.8	[ 113.05975, 116.07024, 129.05418, 129.06396, 129.10179, 130.08568, 131.07036, 131.08081, 136.07478, 143.08104, 147.11241, 149.1279, 154.08527, 156.07628, 159.07494, 161.09157, 164.92, 171.07588, 189.08655, 207.13298, 226.15422, 242.11195, 244.16376, 251.04597, 252.0493...	[ 1733.8, 7611.1, 2247.1, 1134.3, 5687, 1393.1, 2213.3, 1796.4, 1636.2, 4437.2, 2736.4, 7830.7, 1709.8, 1935, 1375.1, 14377.5, 1622.5, 1960.7, 7216.4, 7525.9, 1801.3, 1728.2, 4546.4, 9403, 1293.2, 15433.8, 1058.8, 5012.3, 1239.6, 26579, 12541.4, 4950, 14...	SulfenM_RKO_LCA_A01	3,322	SulfenM_RKO_LCA_A01.mzXML:scan:3322	Orbitrap	25	HCD	101	TSATVGPK	TSATVGPK	null	false	975,168,069,441,769,100	[ 0, 0, 0, 0.3606216609477997, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.08544301241636276, 0, 0, 0, 0, 0, 0, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1...
TSATVGPK	TSATVGPK	380.713182	null	2	1,047.02	[ 110.07133, 110.73616, 111.04408, 116.07045, 122.08097, 123.04206, 129.05431, 129.10178, 131.06996, 131.08142, 136.07494, 141.10207, 143.07065, 143.08089, 147.11278, 149.08052, 149.12804, 156.07602, 161.09163, 168.10138, 169.04681, 171.07565, 181.08366, 189.08641, 202....	[ 1843.4, 1136.1, 1418.8, 6822, 1354.2, 1465, 4945.9, 6525.1, 4742.3, 1756, 2227.5, 1403.9, 1255.3, 2777.1, 2320.2, 1537.3, 7298.7, 1932, 15682.1, 1286.1, 1386.4, 7086.8, 1641.3, 8609.9, 6949.2, 1641.2, 7169.7, 1223.8, 1651.3, 1181.3, 2632.9, 8715.7, 864...	SulfenM_RKO_LCA_A01	3,388	SulfenM_RKO_LCA_A01.mzXML:scan:3388	Orbitrap	25	HCD	101	TSATVGPK	TSATVGPK	null	false	975,168,069,441,769,100	[ 0, 0, 0, 0.3964170217514038, 0, 0, 0, 0, 0, 0, 0.07556873559951782, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1...
VAGAATPK	VAGAATPK	357.71053	null	2	1,061.07	[ 100.07589, 101.07117, 106.08646, 111.0438, 113.05952, 115.03846, 115.08706, 118.07809, 118.08627, 122.08067, 123.96558, 126.05427, 126.09146, 129.05438, 129.06548, 129.10217, 130.06017, 130.08638, 131.07034, 132.07402, 142.0611, 143.10698, 143.11777, 144.12135, 145.09...	[ 2657, 1583.8, 38326.9, 1841.6, 1840.1, 2837.9, 1393.7, 1839.8, 48178.9, 1571.1, 1125.5, 1652.2, 1465.8, 6917.3, 6054.4, 13213.4, 1220.8, 2893.5, 5931.6, 1753, 5937.3, 2060.3, 53657.6, 1878.1, 2015.4, 11437.3, 1157.3, 2428.4, 18726.3, 1230.7, 7255.5, 1124...	SulfenM_RKO_LCA_A01	3,433	SulfenM_RKO_LCA_A01.mzXML:scan:3433	Orbitrap	25	HCD	101	VAGAATPK	VAGAATPK	null	false	638,076,254,255,175,300	[ 0.039746712893247604, 0, 0, 0.3369390368461609, 0, 0, 0.032840028405189514, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, ...
AAATLTSK	AAATLTSK	381.72072	null	2	1,369.46	[ 111.04378, 115.08669, 116.08983, 129.10199, 130.08586, 131.07034, 132.22662, 143.08131, 144.082, 145.09673, 147.11232, 160.28091, 171.11337, 187.14471, 189.11324, 211.09419, 214.11934, 215.13683, 232.11638, 234.14461, 235.05652, 235.1442, 268.16492, 280.89658, 335.191...	[ 1295.3, 27352.7, 1614.2, 2677.6, 1630.9, 1942.4, 1146.2, 22785.3, 1635.4, 1755.8, 2185.2, 1234.5, 1527.4, 1391.9, 1723.7, 2101.8, 1628.2, 1467.2, 1353.2, 5668, 1435.7, 1291.2, 1675.8, 1309.4, 8590.6, 1925.7, 1428.3, 2811.6, 1884.4, 2216.7, 6015.6, 2676.8...	SulfenM_RKO_LCA_A01	4,418	SulfenM_RKO_LCA_A01.mzXML:scan:4418	Orbitrap	25	HCD	101	AAATLTSK	AAATLTSK	null	false	913,096,723,332,381,200	[ 0, 0, 0, 1, 0, 0, 0.0714583471417427, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1...
DYVQKAQTK	DYVQKAQTK	540.786859	null	2	1,740.42	[ 122.08086, 129.10185, 136.07547, 147.11198, 164.9191, 248.16101, 251.10197, 252.06416, 279.09769, 301.05933, 401.74017, 447.25357, 448.25781, 474.8457, 483.27197, 486.85803, 500.27994, 510.27524, 540.78473, 541.14893, 541.2298, 541.29724, 542.2926, 575.34851, 665.3305...	[ 2944.2, 2838.7, 5273.4, 1378.3, 1647.6, 1880.4, 25989.2, 1320, 12418.3, 2239.6, 5849.9, 1950.6, 1627.6, 1506.9, 1590.7, 1515.7, 1384.7, 1533.1, 5913.7, 2801.7, 3591.4, 39856.6, 1737, 6782.9, 1812.6, 5621, 1354.4, 7753.1, 5386.9, 2364.3 ]	SulfenM_RKO_LCA_A01	5,620	SulfenM_RKO_LCA_A01.mzXML:scan:5620	Orbitrap	25	HCD	101	DYVQKAQTK	DYVQKAQTK	null	false	754,562,775,058,865,500	[ 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, ...
NAGAVIGK	NAGAVIGK	365.215986	null	2	1,826.5	[ 100.07566, 101.07135, 101.10758, 107.0494, 109.02892, 110.07105, 111.04379, 112.73027, 113.05973, 113.07127, 115.04974, 115.07533, 120.08082, 122.08102, 122.09606, 123.0806, 124.07571, 126.09102, 128.07047, 129.05434, 129.06456, 129.10222, 130.08611, 130.1059, 131.070...	[ 1729.8, 1425.7, 1877.2, 1809.9, 2402.7, 4850.9, 2108.6, 1095.2, 4514.7, 11904.7, 4350, 7398.7, 5281.6, 2343, 1618.1, 1388.1, 9339.4, 2770.7, 1697.3, 4848.1, 3180.6, 32347.3, 16855.6, 1482.2, 11054.8, 5020.3, 1189.6, 1840.6, 2022.7, 27894, 23353.4, 1329.8...	SulfenM_RKO_LCA_A01	5,919	SulfenM_RKO_LCA_A01.mzXML:scan:5919	Orbitrap	25	HCD	101	NAGAVIGK	NAGAVIGK	null	false	679,226,765,159,839,700	[ 0.08023668825626373, 0, 0, 0.4532763957977295, 0, 0, 0.03965536504983902, 0.043217141181230545, 0, 0.02346784807741642, 0, 0, 0, 0, 0, 0, 0, 0.022709747776389122, 0, 0, 0, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, ...
ESAGADTRPTVR	ESAGADTRPTVR	420.549439	null	3	1,845.01	[ 101.07111, 102.05508, 104.48258, 105.01575, 109.17232, 112.08725, 113.07101, 114.69807, 115.07522, 115.08654, 120.08061, 126.05502, 126.09129, 127.05813, 129.0657, 129.10242, 131.08134, 136.07506, 141.06583, 141.10165, 144.06525, 147.11256, 149.02321, 150.02615, 150.0...	[ 7769.8, 6895.5, 1188.5, 1161.4, 1081, 1298, 2137.6, 1138.5, 1680, 2128, 5167.1, 26156.8, 1839.7, 1795.1, 9226.2, 5287.6, 8490.2, 1602.8, 1513.6, 1640.1, 1384.6, 2572.2, 37606.5, 4814.5, 4636.7, 1814.2, 1961.6, 1381.1, 2205.5, 2723.6, 3031.9, 2211.1, 57...	SulfenM_RKO_LCA_A01	5,988	SulfenM_RKO_LCA_A01.mzXML:scan:5988	Orbitrap	25	HCD	101	ESAGADTRPTVR	ESAGADTRPTVR	null	false	175,780,314,652,286,940	[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -...
AKVDATAETDLAK	AKVDATAETDLAK	666.852315	null	2	2,141.66	[ 103.34833, 107.06041, 111.04387, 113.05981, 129.05444, 129.10226, 130.08644, 130.10555, 131.07025, 133.07574, 141.05392, 146.06993, 147.11234, 149.0448, 149.08101, 150.09096, 155.06993, 155.11751, 164.09326, 167.05531, 168.10143, 173.08012, 177.06654, 182.08057, 183.1...	[ 1311.9, 2735.1, 1878.8, 3148.4, 10046.2, 172867.2, 11231.8, 9256.7, 22597.6, 1720.6, 1934.1, 1795, 19564.7, 7324.6, 17632.5, 2647.9, 16224, 3633.9, 1531.6, 24160.7, 8067.7, 10476.6, 2379.7, 2549.7, 7817.6, 1868.8, 7646, 1893.3, 61083.2, 8603.3, 14415.4, ...	SulfenM_RKO_LCA_A01	7,079	SulfenM_RKO_LCA_A01.mzXML:scan:7079	Orbitrap	25	HCD	101	AKVDATAETDLAK	AKVDATAETDLAK	null	false	98,859,100,752,453,940	[ 0, 0, 0, 1, 0, 0, 0.3300449252128601, 0.043349068611860275, 0, 0.15313048660755157, 0, 0, 0.04650869593024254, 0, 0, 0.043168988078832626, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.09623923152685165, 0, 0, 0.15491822361946106, 0, 0, 0, 0, 0.029073461890...
VGVTVAQTTM[UNIMOD:35]EPH	VGVTVAQTTM+15.995EPH	693.340836	null	2	2,237.87	[ 101.07122, 110.07135, 114.88976, 125.05964, 129.05443, 129.10201, 131.06973, 131.5313, 149.08009, 149.27299, 150.0912, 155.0697, 156.07608, 157.09677, 168.10181, 170.11731, 171.14941, 173.12807, 183.11247, 197.12837, 201.12227, 211.14218, 235.11865, 235.14336, 240.133...	[ 1654.9, 2337.6, 1485.5, 1441.7, 2579.6, 3648.3, 5728.7, 1404.3, 2280.9, 1409.6, 2266.7, 1719.6, 7011.8, 2007.7, 2666.1, 1656.4, 1520.8, 11481, 2733.9, 1850.5, 8872.2, 5261.3, 5476.6, 5958.6, 8811.4, 23933, 7584.9, 5911, 1641.3, 3359.1, 2494.1, 1702.2, ...	SulfenM_RKO_LCA_A01	7,455	SulfenM_RKO_LCA_A01.mzXML:scan:7455	Orbitrap	25	HCD	101	VGVTVAQTTM[UNIMOD:35]EPH	VGVTVAQTTMEPH	ox	true	466,749,892,256,060,400	[ 0, 0, 0, 0.08388835191726685, 0, 0, 0.31692224740982056, 0, 0, 0.13219821453094482, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, ...
FSELAEDKENYK	FSELAEDKENYK	491.568418	null	3	2,245.4	[ 101.10775, 102.05524, 103.05452, 107.0492, 107.06013, 110.0714, 111.04399, 112.03922, 112.07595, 113.05954, 114.09135, 115.07509, 115.08669, 120.08086, 120.26572, 121.08418, 122.08099, 122.92702, 124.07551, 125.05954, 126.05452, 126.09106, 127.0746, 129.05452, 129.093...	[ 1660.4, 10198.6, 11922.7, 5286.7, 1854.4, 5272.3, 3263.6, 3018.2, 2638.8, 5223.5, 2229.2, 3186.8, 2356.1, 236773.9, 1161.3, 18558.7, 2345.8, 1467, 1337.6, 5157.4, 2640.4, 2838.1, 1444.2, 2829.2, 1956.7, 41268.2, 12384, 5391.2, 2058.8, 19645.6, 6215.5, 17...	SulfenM_RKO_LCA_A01	7,485	SulfenM_RKO_LCA_A01.mzXML:scan:7485	Orbitrap	25	HCD	101	FSELAEDKENYK	FSELAEDKENYK	null	false	379,625,245,247,921,000	[ 0, 0, 0, 0.33806112408638, 0, 0, 0, 0, 0.10377854853868484, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.3185202479362488, 0, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, ...
SAM[UNIMOD:35]TEEAAVAIK	SAM+15.995TEEAAVAIK	618.811435	null	2	2,267.51	[ 101.05981, 101.07072, 102.05476, 107.06042, 109.02834, 111.04439, 113.05934, 115.07527, 120.04741, 120.08047, 125.05969, 126.09041, 127.07548, 129.05434, 129.06561, 129.10262, 130.08598, 131.06992, 131.08131, 136.07565, 138.09064, 141.05441, 143.06992, 144.08081, 147....	[ 2927, 1477.1, 1685.1, 2428.6, 8226.9, 11270.9, 7464.3, 5514.9, 3064.8, 1941.7, 10712.4, 1662.1, 2136, 5544.1, 1687.7, 13583.5, 10124.3, 7702.2, 14987.2, 6648.8, 1814.4, 16065, 17736.4, 1958.7, 19124, 2284.3, 7452, 36524.3, 2914.3, 1760, 1986.4, 1867, 5...	SulfenM_RKO_LCA_A01	7,576	SulfenM_RKO_LCA_A01.mzXML:scan:7576	Orbitrap	25	HCD	101	SAM[UNIMOD:35]TEEAAVAIK	SAMTEEAAVAIK	ox	true	72,944,092,305,887,900	[ 0, 0, 0, 0.6153733730316162, 0, 0, 0.2896883487701416, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1,...
VVTMEVEAR	VVTMEVEAR	517.27139	null	2	2,341.03	[ 101.0711, 102.05528, 104.05299, 109.02863, 109.06447, 110.07152, 111.04404, 113.05953, 113.07133, 115.07508, 115.08695, 120.08051, 122.08106, 122.09601, 124.07548, 125.06005, 126.09159, 128.10677, 129.0546, 129.10208, 130.08627, 131.07039, 132.32582, 133.08586, 136.07...	[ 2261.4, 4920.3, 1601.3, 1419.1, 1570, 5275.7, 6453.3, 9628.2, 1416.1, 2441.5, 1732.4, 3304.8, 7802.2, 1704.7, 3017.4, 2213, 2547.5, 1355.5, 10997.9, 18447, 3281.1, 16484.3, 2184.4, 2370.9, 13547, 3093, 1899.2, 7357.6, 5907.8, 6253.8, 4164.8, 14086.5, 1...	SulfenM_RKO_LCA_A01	7,859	SulfenM_RKO_LCA_A01.mzXML:scan:7859	Orbitrap	25	HCD	101	VVTMEVEAR	VVTMEVEAR	null	false	1,007,789,529,611,281,500	[ 0, 0, 0, 0.35248440504074097, 0, 0, 0.07806535065174103, 0, 0, 0.0594872422516346, 0, 0, 0, 0, 0, 0, 0.013743806630373001, 0, 0, 0, 0, 0, 0, 0, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, ...
LEAGAM[UNIMOD:35]VLADR	LEAGAM+15.995VLADR	581.29946	null	2	2,460.87	[ 100.48027, 101.06031, 101.07111, 102.05511, 106.04977, 108.04446, 109.07611, 109.10123, 110.07108, 113.05907, 114.05451, 114.0907, 120.08051, 126.09133, 128.07033, 129.06564, 129.10228, 130.08638, 131.07027, 132.28877, 136.07574, 138.05479, 141.0659, 143.07112, 143.11...	[ 1474.1, 1558, 1703.2, 8703.4, 2942.7, 2216.8, 1429.5, 2923.2, 2166.3, 1540.1, 1574.4, 1682.8, 6069.5, 2510, 1951.3, 2910.6, 27754.6, 7649.7, 6196.6, 1451.2, 16020.5, 2125.6, 1586, 1999, 2340.1, 18623, 12497.8, 1992.5, 9923.2, 1432.3, 4864.2, 4963.9, 60...	SulfenM_RKO_LCA_A01	8,359	SulfenM_RKO_LCA_A01.mzXML:scan:8359	Orbitrap	25	HCD	101	LEAGAM[UNIMOD:35]VLADR	LEAGAMVLADR	ox	true	1,071,228,435,558,472,600	[ 0.04343045875430107, 0, 0, 1, 0, 0, 0.050238728523254395, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.06761039793491364, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1,...
TC[UNIMOD:4]TTVAFTQVNSEDK	TC+57.021TTVAFTQVNSEDK	850.893144	null	2	2,518.64	[ 109.02843, 119.08164, 120.08073, 129.10153, 133.04218, 141.0549, 143.06978, 147.11205, 153.06497, 155.06915, 167.08029, 170.11699, 171.07629, 183.33932, 185.09196, 221.12958, 226.11655, 227.04834, 230.11156, 234.09081, 244.1257, 254.11304, 262.08548, 262.13889, 272.12...	[ 1778.6, 33042.9, 8027.5, 3339.1, 2356.1, 1844, 3323.7, 1962.9, 2007.7, 4050.9, 1948.6, 3554.2, 3486.9, 1574.5, 10004.1, 2072.3, 2370.1, 11340.5, 2913.8, 8126.3, 1776.4, 3994.5, 33460, 7800.7, 8709.4, 8700, 2111, 9746.2, 6149.6, 1914.3, 21607.5, 3707.4, ...	SulfenM_RKO_LCA_A01	8,612	SulfenM_RKO_LCA_A01.mzXML:scan:8612	Orbitrap	25	HCD	101	TC[UNIMOD:4]TTVAFTQVNSEDK	TCTTVAFTQVNSEDK	cam	true	509,406,126,087,616,500	[ 0, 0, 0, 0.7664749026298523, 0, 0, 0.1408701092004776, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.043851252645254135, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.15579186379909515, 0, 0, 0, 0, 0, -1, -1, -1, -1, -1, -1, ...
IAVEENVDLK	IAVEENVDLK	565.310152	null	2	2,541.26	[ 100.07611, 101.0711, 102.05517, 107.04955, 107.06029, 110.07148, 110.16817, 112.03927, 112.07597, 113.05921, 115.07568, 115.08688, 120.08097, 122.08083, 122.09653, 129.10242, 130.08635, 131.07043, 132.25162, 136.07541, 143.07193, 143.11813, 144.08067, 147.11256, 150.0...	[ 1554.3, 2405.7, 5758.8, 2152.3, 1449.4, 6624.6, 1317.7, 1784.2, 2140.8, 1465.3, 1961.2, 1987, 13940.2, 2196.5, 2135.5, 20955.8, 8334.2, 2903.3, 1732.6, 11387, 2593.4, 7052.8, 13886.9, 21181.3, 10758.3, 7042.6, 2311.5, 31858.3, 2000.7, 1505.4, 1593.9, 313...	SulfenM_RKO_LCA_A01	8,712	SulfenM_RKO_LCA_A01.mzXML:scan:8712	Orbitrap	25	HCD	101	IAVEENVDLK	IAVEENVDLK	null	false	1,121,528,338,628,763,600	[ 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -...
PAEFTIDTK	PAEFTIDTK	511.265476	null	2	2,552.73	[ 101.05991, 101.07146, 102.05518, 104.05154, 105.06976, 107.04932, 107.06028, 108.05341, 110.0715, 111.04387, 112.07581, 112.08669, 113.05976, 113.35153, 114.09129, 115.07499, 115.08681, 117.07034, 120.04453, 120.08086, 122.06049, 122.08092, 122.09602, 123.07946, 124.0...	[ 3418.8, 4696.6, 5616.1, 1334.9, 1423.5, 7271.1, 2418.1, 1291.5, 9815.2, 3355, 2733.8, 1683.4, 6755.9, 1286.2, 2758.3, 1786.5, 2690.1, 1445.2, 2767.3, 19921.2, 1899.6, 6386.2, 1709.3, 1631.4, 1820.8, 5985.4, 7605.3, 7750.9, 6466.9, 60829.9, 15014.3, 2116,...	SulfenM_RKO_LCA_A01	8,762	SulfenM_RKO_LCA_A01.mzXML:scan:8762	Orbitrap	25	HCD	101	PAEFTIDTK	PAEFTIDTK	null	false	717,538,857,613,969,800	[ 0, 0, 0, 0.7368834018707275, 0, 0, 0.38564378023147583, 0, 0, 0.07797276228666306, 0, 0.07780174911022186, 0, 0, 0, 0, 0.25179439783096313, 0, 0, 0, 0, 0, 0, 0, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, ...
DVNAAIATIKTK	DVNAAIATIKTK	622.864859	null	2	2,555.67	[ 100.60248, 101.06047, 101.07101, 102.05484, 107.04915, 110.07127, 111.04391, 113.0704, 114.09124, 115.07496, 116.07042, 120.08017, 122.08018, 124.03883, 127.0859, 128.07022, 129.05415, 129.06467, 129.10234, 130.08583, 136.07471, 136.08466, 141.05385, 141.06483, 142.08...	[ 1475.6, 1744.2, 3069.7, 1839.3, 2870.6, 1972.1, 3229.7, 1336.8, 1820.4, 2050.3, 2480.5, 2410.5, 2129.9, 2112, 5317.8, 2077.7, 1477.7, 2040.6, 34441.3, 8466.4, 9769.5, 1967.4, 1874, 1501.1, 2285.7, 3118.6, 10474.7, 13001.4, 5198.7, 8195.1, 1626, 1515.9, ...	SulfenM_RKO_LCA_A01	8,775	SulfenM_RKO_LCA_A01.mzXML:scan:8775	Orbitrap	25	HCD	101	DVNAAIATIKTK	DVNAAIATIKTK	null	false	939,471,888,600,815,200	[ 0.08538021147251129, 0, 0, 0.776985764503479, 0, 0, 0.879875659942627, 0, 0, 0.6698895692825317, 0, 0, 0.2896249294281006, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -...
M[UNIMOD:35]SNALAIQVDSEGK	M+15.995SNALAIQVDSEGK	739.861661	null	2	2,567.85	[ 101.07046, 111.04422, 120.08112, 122.08128, 126.24902, 129.10225, 130.08665, 131.07037, 136.0757, 143.08104, 144.08055, 147.11237, 148.11391, 149.0448, 155.06976, 167.05591, 168.1022, 169.08679, 170.08075, 170.11742, 171.07567, 171.11159, 175.11887, 182.08081, 189.112...	[ 1561.2, 1900.7, 1782.7, 6758.6, 1577.5, 9099.7, 1779.6, 3026.1, 3377.4, 1836.2, 11775.4, 2884.2, 1716.7, 1731.6, 7837.7, 2067.8, 1839.8, 1512, 2434.1, 7217.4, 1555.1, 2874.4, 2289.7, 3353.6, 3267.1, 3821, 2395.8, 1914.7, 1792.7, 13180, 1701.2, 1581.5, ...	SulfenM_RKO_LCA_A01	8,835	SulfenM_RKO_LCA_A01.mzXML:scan:8835	Orbitrap	25	HCD	101	M[UNIMOD:35]SNALAIQVDSEGK	MSNALAIQVDSEGK	ox	true	939,787,691,232,907,400	[ 0, 0, 0, 0.9661198258399963, 0, 0, 0.503767728805542, 0, 0, 0.8168184161186218, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.59870845079422, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1...
SDNVLLGM[UNIMOD:35]EGSVK	SDNVLLGM+15.995EGSVK	682.837721	null	2	2,572.33	[ 101.07142, 102.05528, 107.049, 109.07609, 110.07082, 111.0442, 115.07533, 120.08075, 124.07578, 125.05968, 129.05444, 129.10231, 130.08568, 132.25957, 136.07535, 136.08592, 141.0547, 141.06493, 143.07185, 143.08232, 144.08066, 145.08377, 147.11252, 149.04465, 150.0906...	[ 2370.9, 2097, 2940.8, 1464, 2461.2, 5805.9, 2581.2, 10600.3, 2023.8, 1525.4, 1569.9, 18120.2, 6496.6, 1628.9, 7311.3, 2898.9, 2872.8, 2427.2, 1953.6, 1649.3, 29195.3, 2087.2, 10998.2, 2262.8, 6854, 2098.5, 7607.5, 3409.8, 1742.6, 2785, 9865, 1592.8, 35...	SulfenM_RKO_LCA_A01	8,853	SulfenM_RKO_LCA_A01.mzXML:scan:8853	Orbitrap	25	HCD	101	SDNVLLGM[UNIMOD:35]EGSVK	SDNVLLGMEGSVK	ox	true	203,075,797,279,837,120	[ 0, 0, 0, 0.3774474859237671, 0.050803110003471375, 0, 1, 0, 0, 0.47035396099090576, 0, 0, 0.08745790272951126, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, ...
GEVTEM[UNIMOD:35]FSYEESNPK	GEVTEM+15.995FSYEESNPK	881.876766	null	2	2,578.13	[ 109.85374, 109.88441, 118.12188, 120.08095, 129.10226, 132.25543, 136.07556, 141.05479, 144.08066, 146.5246, 147.11169, 155.06992, 159.07614, 162.67265, 173.12836, 187.07114, 196.34631, 201.12291, 203.10127, 226.15475, 231.09616, 232.77454, 240.47803, 244.16504, 259.0...	[ 1748.4, 1649.9, 1637.4, 1640.8, 6495.7, 2417.7, 2068.4, 2789.9, 1874.1, 1694.2, 1996.6, 4072.5, 8819.2, 1797, 3075.9, 24331.2, 1544.4, 10196.8, 2385.3, 4053.5, 3148.9, 1610.2, 1803.8, 21687.5, 1841.2, 10258.6, 1967.1, 1721.9, 1991.8, 1838.2, 2737.9, 7909...	SulfenM_RKO_LCA_A01	8,882	SulfenM_RKO_LCA_A01.mzXML:scan:8882	Orbitrap	25	HCD	101	GEVTEM[UNIMOD:35]FSYEESNPK	GEVTEMFSYEESNPK	ox	true	185,236,320,819,101,200	[ 0, 0, 0, 1, 0, 0, 0.42162325978279114, 0, 0, 0.12119007855653763, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.35078829526901245, 0, 0, 0, 0, 0, 0, 0, -1, -1, -1, -1, -1, -1, -1, -1, -1, ...
LVC[UNIMOD:4]LDVSENR	LVC+57.021LDVSENR	602.80423	null	2	2,589.11	[ 100.04728, 101.0713, 102.05527, 107.04945, 107.06053, 109.0286, 110.07164, 111.04417, 113.0597, 115.0751, 117.1023, 119.06026, 120.0808, 122.08131, 122.09597, 123.04383, 124.07597, 125.05963, 126.05498, 126.09139, 127.03883, 128.0705, 129.05444, 129.06381, 129.10231, ...	[ 1727, 1404.7, 5487.8, 2000.7, 2782.2, 2921.1, 2919, 10009.8, 8266.7, 1859, 2271.5, 1468.7, 8327.2, 2893.8, 1896.4, 2267.4, 2217.5, 8904.7, 2140.4, 1362.7, 3154.7, 2144.5, 9440.1, 1340.2, 14629.5, 2563.3, 9511.1, 8022, 39471.1, 13193.1, 2586.7, 2659.7, ...	SulfenM_RKO_LCA_A01	8,933	SulfenM_RKO_LCA_A01.mzXML:scan:8933	Orbitrap	25	HCD	101	LVC[UNIMOD:4]LDVSENR	LVCLDVSENR	cam	true	922,743,868,088,235,800	[ 0, 0, 0, 0.32395458221435547, 0.04000437259674072, 0, 0.24529027938842773, 0.04523102194070816, 0.12803785502910614, 0, 0, 0, 0, 0, 0.02134946919977665, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -...
ETVSEESNVLC[UNIMOD:4]LSKSPNK	ETVSEESNVLC+57.021LSKSPNK	674.33432	null	3	2,636.7	[ 101.07105, 102.05512, 103.62716, 109.02842, 111.04424, 113.0591, 115.0751, 117.05441, 120.08053, 125.05949, 129.05461, 129.10226, 130.08582, 130.30797, 131.06963, 133.08592, 136.07562, 140.07014, 141.05464, 143.07005, 144.08009, 147.11218, 147.81548, 151.81406, 155.06...	[ 1903.1, 2423.9, 1550, 6794, 2672.7, 2652.9, 5903.9, 1953.9, 3435.6, 7169.7, 2555.8, 15130.5, 3027.9, 1265.6, 2579.2, 2560.8, 3433.5, 9120.6, 14810.7, 8784.9, 2174.5, 9029.5, 1424.6, 1448.6, 27640, 1603.6, 3357, 1894.6, 3189.7, 1776.5, 2446.4, 10377.3, ...	SulfenM_RKO_LCA_A01	9,150	SulfenM_RKO_LCA_A01.mzXML:scan:9150	Orbitrap	25	HCD	101	ETVSEESNVLC[UNIMOD:4]LSKSPNK	ETVSEESNVLCLSKSPNK	cam	true	239,420,404,799,749,000	[ 0.27100637555122375, 0, 0, 0.8941537141799927, 0, 0, 0.7560325264930725, 0, 0, 0, 0, 0, 0, 0, 0, 0.7587623596191406, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,...
YIADIEVDGK	YIADIEVDGK	561.788046	null	2	2,653.08	[ 100.07628, 101.05991, 101.07159, 101.10802, 102.05536, 104.05302, 104.81955, 107.04939, 108.89667, 109.02853, 109.10176, 110.07137, 111.04442, 112.07631, 112.08679, 113.05975, 114.09125, 115.07543, 115.08702, 116.07085, 117.10233, 119.04902, 120.0808, 121.0756, 122.08...	[ 1253.7, 2074.4, 7769.8, 1377.4, 5720.1, 3224.6, 1455.4, 1705, 1564.2, 1815.2, 1735, 12043.9, 6098.7, 1980.9, 2308.6, 5646.2, 1755.4, 2646.2, 2305.4, 2908.3, 9644.4, 3362.1, 30751, 1340, 11877, 2227.4, 11807.2, 5905.4, 2633.1, 3282.1, 2095, 47285.7, 122...	SulfenM_RKO_LCA_A01	9,223	SulfenM_RKO_LCA_A01.mzXML:scan:9223	Orbitrap	25	HCD	101	YIADIEVDGK	YIADIEVDGK	null	false	635,580,405,448,997,900	[ 0.02463155798614025, 0, 0, 0.17496559023857117, 0, 0, 1, 0, 0, 0.031863026320934296, 0, 0.05425627529621124, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, ...
EVC[UNIMOD:4]FTIENK	EVC+57.021FTIENK	570.275133	null	2	2,664.53	[ 101.05978, 101.07091, 101.10807, 102.0551, 107.04913, 107.06023, 109.02843, 109.07607, 110.07123, 110.0965, 111.04398, 112.07563, 113.05968, 114.09117, 115.07517, 116.01639, 117.06945, 117.10201, 120.0808, 121.07636, 122.09603, 124.07552, 125.05946, 126.0552, 126.0909...	[ 2739.4, 4398.5, 1896.2, 24843.5, 20140.7, 2752.8, 3865.6, 1744.2, 4012.3, 1718.8, 9829.5, 4350, 9182.5, 2996.2, 8449.3, 10779.2, 1914, 2667.7, 71999.8, 2885.5, 7905, 9756.8, 4641.1, 2857.9, 4566.5, 2486.7, 1987.8, 1839.1, 99676.1, 34779.6, 2458.5, 1957.9...	SulfenM_RKO_LCA_A01	9,270	SulfenM_RKO_LCA_A01.mzXML:scan:9270	Orbitrap	25	HCD	101	EVC[UNIMOD:4]FTIENK	EVCFTIENK	cam	true	116,282,659,505,828,220	[ 0.2812809348106384, 0, 0, 0.20268797874450684, 0.0683339312672615, 0, 0.03399429842829704, 0.03635181114077568, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, ...
LFEASIETGDR	LFEASIETGDR	619.306353	null	2	2,664.69	[ 101.02379, 101.06, 101.07104, 102.05507, 103.05425, 107.04937, 107.06064, 109.02853, 109.07601, 109.0825, 110.07154, 111.04417, 112.07595, 112.0869, 113.05975, 113.07069, 114.09131, 115.07532, 115.08665, 117.06978, 119.06005, 120.08084, 121.07631, 121.08401, 122.08166...	[ 3035.4, 5629.1, 2388.8, 11612.4, 2454, 30726.3, 12567.1, 9308.3, 9252.1, 1370, 3546.6, 23119.4, 1790.2, 6873.8, 7100, 2237.6, 2571.1, 9284.8, 3360, 1968.8, 7576.3, 183059.1, 2388.9, 11630.9, 2060.6, 5558.8, 8049.9, 1789.8, 11933.6, 3200.2, 5450.5, 1962.3...	SulfenM_RKO_LCA_A01	9,271	SulfenM_RKO_LCA_A01.mzXML:scan:9271	Orbitrap	25	HCD	101	LFEASIETGDR	LFEASIETGDR	null	false	812,889,925,473,124,500	[ 0.019716134294867516, 0, 0, 0.7204121947288513, 0.021232934668660164, 0, 0.18690413236618042, 0, 0, 0.015738550573587418, 0, 0, 0, 0, 0, 0, 0, 0.022712163627147675, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.043894488364458084, -1, -1, -1, -1, -1, -1, ...
SLC[UNIMOD:4]M[UNIMOD:35]DTSLDVYR	SLC+57.021M+15.995DTSLDVYR	738.328493	null	2	2,734.46	[ 101.07114, 107.06033, 109.02843, 110.07124, 111.04382, 120.08067, 122.08128, 126.09146, 129.10197, 130.08621, 133.04305, 136.07516, 137.07977, 141.05409, 143.08185, 144.08057, 147.11253, 150.09023, 153.06532, 155.07028, 157.09753, 157.13252, 158.09216, 168.10077, 170....	[ 2737.4, 1865.1, 1669.1, 1893.1, 5951.9, 3484.4, 11501.9, 1616.3, 9806.1, 2908.8, 35427.8, 8645.3, 1769.9, 3136.7, 1704.6, 2348.7, 3856.9, 2481.5, 2884.5, 12247.8, 2524.9, 1929.3, 2124.7, 2925.4, 8467.7, 33093.9, 17587.5, 1852.9, 1934.3, 1936.1, 11321.3, ...	SulfenM_RKO_LCA_A01	9,611	SulfenM_RKO_LCA_A01.mzXML:scan:9611	Orbitrap	25	HCD	101	SLC[UNIMOD:4]M[UNIMOD:35]DTSLDVYR	SLCMDTSLDVYR	ox	true	807,676,569,867,139,200	[ 0, 0, 0, 0.37188515067100525, 0.08991885930299759, 0, 0.22070755064487457, 0, 0, 0, 0, 0.2781493365764618, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1...
ILNM[UNIMOD:35]DFETEVDK	ILNM+15.995DFETEVDK	735.345434	null	2	2,749	[ 101.05936, 101.0711, 102.05536, 109.02854, 110.07136, 111.04367, 113.05972, 120.08076, 122.08064, 125.06, 125.15231, 127.0391, 129.10236, 130.0858, 131.07021, 132.1907, 136.07518, 141.05412, 143.06987, 144.08037, 145.72899, 147.11238, 150.09142, 155.07005, 156.07417, ...	[ 2054, 3454.3, 2328.8, 2538.8, 3712.8, 3444.9, 2197.8, 14713.8, 13115, 2015.7, 1504.2, 2010.2, 19281.7, 10443.2, 2081.3, 2101, 10049.7, 10573.8, 6028, 2937.9, 1441.2, 21366.8, 2003.7, 27989.1, 3872.3, 1939.6, 3496.2, 1761.2, 6845.4, 2042.3, 5385.1, 6170.5...	SulfenM_RKO_LCA_A01	9,685	SulfenM_RKO_LCA_A01.mzXML:scan:9685	Orbitrap	25	HCD	101	ILNM[UNIMOD:35]DFETEVDK	ILNMDFETEVDK	ox	true	691,011,211,081,046,100	[ 0, 0, 0, 0.6316855549812317, 0, 0, 0.1272815763950348, 0.09558286517858505, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1,...
EGEFVAQFK	EGEFVAQFK	527.762797	null	2	2,765.83	[ 101.05981, 101.07133, 101.10732, 102.05523, 103.05439, 107.04926, 109.02839, 109.06429, 109.07634, 110.07156, 111.04398, 113.05965, 113.07097, 114.09189, 115.07542, 115.08614, 116.03396, 116.07062, 120.08081, 121.0843, 122.09631, 123.07989, 125.05939, 126.091, 127.086...	[ 2747.7, 15701.5, 1588.6, 77359.3, 6186.5, 2070.1, 2124.7, 1400.5, 1426.9, 9946, 1627.4, 6611.3, 2721.5, 1550.7, 2324.6, 1371.7, 2038.2, 1704.9, 247837.8, 16042.7, 1729.7, 1846, 2770.6, 1933, 1654.9, 6101.5, 5508.8, 71268.7, 24130.8, 30786, 1959.5, 7027.4...	SulfenM_RKO_LCA_A01	9,749	SulfenM_RKO_LCA_A01.mzXML:scan:9749	Orbitrap	25	HCD	101	EGEFVAQFK	EGEFVAQFK	null	false	786,705,133,424,971,800	[ 0.177007794380188, 0, 0, 0.1754160225391388, 0, 0, 0.07711577415466309, 0, 0, 0.015108614228665829, 0.012515568174421787, 0.09802371263504028, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, ...
QIC[UNIMOD:4]VVM[UNIMOD:35]LESPPK	QIC+57.021VVM+15.995LESPPK	708.864157	null	2	2,821.86	[ 101.07088, 102.05479, 106.94479, 109.02866, 110.07122, 111.04427, 112.07576, 112.08714, 113.05949, 115.08611, 115.16848, 118.17508, 120.08057, 122.08102, 124.07598, 125.05962, 126.09129, 129.05507, 129.06558, 129.10222, 130.08578, 131.11763, 132.15967, 133.04298, 136....	[ 6676.7, 3135.5, 1434.5, 2305, 5883.6, 3396.4, 2327.3, 1766, 2481.5, 2157.8, 1587.6, 1523.2, 8617.1, 1777.1, 1727, 7786.1, 1930.1, 1904.8, 11336.1, 15805.3, 6717.3, 1566.7, 2412, 21043.4, 8928.5, 7087.6, 2903.6, 2042.2, 2141.2, 9686.5, 14247.4, 7399.8, ...	SulfenM_RKO_LCA_A01	9,985	SulfenM_RKO_LCA_A01.mzXML:scan:9985	Orbitrap	25	HCD	101	QIC[UNIMOD:4]VVM[UNIMOD:35]LESPPK	QICVVMLESPPK	ox	true	1,077,563,864,027,375,500	[ 0.20983490347862244, 0, 0, 0.22090965509414673, 0, 0, 0.04322346672415733, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -...
IESIQLMM[UNIMOD:35]DSETGR	IESIQLMM+15.995DSETGR	813.381237	null	2	2,831.99	[ 101.07095, 104.05271, 115.08641, 120.08073, 122.08087, 126.67342, 129.10184, 130.0874, 133.4278, 136.07553, 141.05426, 141.0648, 144.08066, 147.07635, 147.11221, 155.07018, 155.0806, 157.13277, 170.11707, 171.14951, 173.07991, 173.12833, 175.11842, 189.11281, 197.1285...	[ 9889.9, 1798.7, 1908.4, 3535.8, 2229.1, 1700.9, 9159.2, 1832, 1668, 3395.2, 2239.7, 2043.4, 2626.9, 2414.2, 9254.1, 12250.7, 1675.8, 2724.8, 7593.6, 2480.4, 2607.5, 29275.3, 8868.2, 2299.8, 3264.6, 3085.4, 2720.4, 12752.2, 3054, 39216.5, 1970.9, 1615, ...	SulfenM_RKO_LCA_A01	10,038	SulfenM_RKO_LCA_A01.mzXML:scan:10038	Orbitrap	25	HCD	101	IESIQLMM[UNIMOD:35]DSETGR	IESIQLMMDSETGR	ox	true	976,637,588,626,831,900	[ 0, 0, 0, 1, 0.048694442957639694, 0, 0.7837399840354919, 0, 0, 0, 0, 0, 0.17111319303512573, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -...
FVMEVEVDGQK	FVMEVEVDGQK	640.815532	null	2	2,843.58	[ 100.07599, 101.02316, 101.06014, 101.07121, 102.0551, 103.05472, 104.05314, 104.42012, 107.04925, 107.0607, 108.04475, 109.07617, 110.06049, 110.07137, 111.04454, 112.0393, 112.0759, 112.08703, 113.05989, 114.09151, 115.04747, 115.05505, 115.07552, 115.0869, 117.07043...	[ 2459.6, 2017.1, 2105.2, 32306.2, 13837.7, 9118.3, 73494.2, 1521.6, 29282.1, 2393, 3642.4, 1975.4, 2130.5, 9189.7, 3272.6, 2433.5, 3070.1, 2071.6, 2416.8, 2233.9, 2419.2, 7549, 12357, 2868.8, 2481.4, 549172.8, 3141.4, 36200.3, 1994.1, 7422.5, 1712.7, 1734...	SulfenM_RKO_LCA_A01	10,100	SulfenM_RKO_LCA_A01.mzXML:scan:10100	Orbitrap	25	HCD	101	FVMEVEVDGQK	FVMEVEVDGQK	null	false	1,104,881,716,369,841,200	[ 0.007711092475801706, 0, 0, 1, 0.007474902551621199, 0, 0.06749996542930603, 0, 0, 0.10117430984973907, 0, 0, 0, 0, 0, 0.03225935623049736, 0.08826056867837906, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.08152526617050171, 0.029121648520231247, 0, 0, -1, -1, -1, -...
ITLETDEDM[UNIMOD:35]VTEIR	ITLETDEDM+15.995VTEIR	840.907895	null	2	2,846.02	[ 101.07126, 102.05525, 109.02847, 113.05985, 116.07093, 120.08162, 129.10204, 129.51707, 130.08588, 141.0545, 142.12251, 143.08081, 147.11209, 150.09096, 155.07045, 156.07332, 159.06488, 169.13353, 170.11703, 173.08011, 175.1189, 185.09267, 186.12376, 187.14386, 188.14...	[ 2842, 3008.1, 1798.1, 1753.2, 1768.3, 1775.5, 6488.6, 1490.3, 1849, 6533.7, 9820.3, 1718.9, 2519.2, 2012, 26403.6, 2100.9, 2152, 2027.4, 2641.6, 2988.5, 22489.7, 2056.4, 7801, 49004.9, 3019.6, 38104.1, 2632.3, 2163.6, 59017.2, 3610.8, 1812, 1817.6, 170...	SulfenM_RKO_LCA_A01	10,115	SulfenM_RKO_LCA_A01.mzXML:scan:10115	Orbitrap	25	HCD	101	ITLETDEDM[UNIMOD:35]VTEIR	ITLETDEDMVTEIR	ox	true	698,381,423,292,279,900	[ 0, 0, 0, 1, 0, 0, 0, 0, 0, 0.06709908694028854, 0, 0, 0, 0, 0, 0, 0, 0.030797801911830902, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, ...
VQIAEAINLQDK	VQIAEAINLQDK	671.374898	null	2	2,852.5	[ 101.07135, 102.0552, 107.0491, 107.06055, 109.02802, 110.07133, 111.04388, 112.07542, 113.05966, 115.07516, 115.24392, 117.1023, 120.0808, 125.05994, 126.09109, 127.03947, 127.07507, 128.07051, 129.05516, 129.06596, 129.10222, 130.08615, 133.04269, 136.07559, 136.0851...	[ 11216.1, 3789.6, 2976.2, 2685.9, 1956.1, 3246.2, 3657.5, 1536.5, 2231, 7679.5, 1469.2, 57559.6, 17961.3, 2211.4, 8039.9, 1475.1, 1663.3, 2261.3, 1671.1, 2825.5, 26045.7, 10601.1, 1537.3, 10078.5, 1353.2, 1255, 2458.8, 9760.4, 1481, 1938.4, 1555, 2602.9, ...	SulfenM_RKO_LCA_A01	10,149	SulfenM_RKO_LCA_A01.mzXML:scan:10149	Orbitrap	25	HCD	101	VQIAEAINLQDK	VQIAEAINLQDK	null	false	112,629,041,482,678,660	[ 0, 0, 0, 1, 0, 0, 0.1331716626882553, 0.030747607350349426, 0, 0.05022411793470383, 0, 0.013194335624575615, 0.03202421963214874, 0, 0, 0.06211340054869652, 0, 0, 0.016432281583547592, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -1, -1, -1, -1, ...
C[UNIMOD:4]AVEFNFGQK	C+57.021AVEFNFGQK	600.282752	null	2	2,883.05	[ 100.07561, 101.05991, 101.0711, 101.1075, 102.00082, 102.05516, 102.06092, 103.05436, 107.04916, 107.06013, 109.02821, 109.07602, 110.0713, 111.04401, 112.07569, 112.08676, 113.05945, 113.07111, 114.0369, 114.09135, 115.07538, 115.08629, 116.01623, 116.06215, 116.0704...	[ 1794.6, 2380.5, 12930.3, 1792.5, 2299.1, 14386.5, 1473.1, 2207, 6677.6, 2431.9, 8058.7, 1842.4, 11940.8, 12123.7, 3643, 3632, 8964.2, 42098, 2330.5, 7353.4, 6985.6, 3201.8, 8226.6, 1574.5, 6536.6, 1671, 1738.2, 52088.6, 2026.9, 1659, 2065.7, 2119.7, 56...	SulfenM_RKO_LCA_A01	10,319	SulfenM_RKO_LCA_A01.mzXML:scan:10319	Orbitrap	25	HCD	101	C[UNIMOD:4]AVEFNFGQK	CAVEFNFGQK	cam	true	67,783,594,104,483,710	[ 0.06296636909246445, 0, 0, 1, 0, 0, 0.3953007459640503, 0.013899875804781914, 0.07200390100479126, 0.04741007834672928, 0, 0.03743357211351395, 0, 0, 0.01348829735070467, 0, 0.011732104234397411, 0, 0, 0, 0.010301968082785606, 0, 0.011400108225643635, 0, 0, 0, 0, ...
EEISATQIIVC[UNIMOD:4]TPEK	EEISATQIIVC+57.021TPEK	859.441929	null	2	2,886.88	[ 101.07085, 102.05522, 110.07177, 116.89252, 125.3838, 129.10193, 130.08575, 132.11478, 136.07541, 141.05458, 141.0652, 147.11226, 155.06993, 155.08061, 159.07643, 170.11838, 173.0918, 175.11847, 178.37492, 183.11276, 195.07547, 199.17847, 201.12251, 213.08632, 221.127...	[ 3538.7, 3431.3, 2322.7, 1673.1, 1449, 7081, 1984, 3307.5, 4017.8, 3294.9, 1776, 8237.3, 13795, 1716.6, 2140, 1866.3, 1757.7, 6414.7, 1554.3, 3704.8, 2087.8, 1992.6, 6669.2, 2389.3, 1411.8, 3034, 1745.1, 9230.8, 11977, 13041.9, 2775.1, 43321.7, 1958.2, ...	SulfenM_RKO_LCA_A01	10,342	SulfenM_RKO_LCA_A01.mzXML:scan:10342	Orbitrap	25	HCD	101	EEISATQIIVC[UNIMOD:4]TPEK	EEISATQIIVCTPEK	cam	true	988,293,158,271,260,300	[ 0.04579691216349602, 0, 0, 1, 0.04579691216349602, 0, 0.09043274074792862, 0, 0, 0, 0.2130756676197052, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -1, -1, -1, -1, -1, -1, ...
FQIM[UNIMOD:35]NEIVYEK	FQIM+15.995NEIVYEK	715.361329	null	2	2,889.34	[ 101.0599, 101.07096, 102.05522, 103.05421, 109.02871, 110.07124, 111.04391, 113.0598, 115.07486, 115.08691, 116.07024, 120.0808, 121.08418, 125.05928, 125.09662, 125.35323, 129.05502, 129.0649, 129.1022, 130.0862, 131.11737, 132.12689, 133.04239, 133.08574, 136.07559,...	[ 1608, 7078.2, 6341.1, 2029.2, 2575.3, 8337.8, 5919.4, 3179.5, 2596.5, 1833.2, 1905.8, 118001.3, 9128.6, 3032.2, 1506.4, 1691.1, 2027.9, 1973.7, 31085.9, 20834.8, 2097.9, 2643.3, 2501.8, 2174.6, 23987.1, 9861.6, 2235.1, 2657.4, 2899.6, 9623.8, 36085.8, 28...	SulfenM_RKO_LCA_A01	10,356	SulfenM_RKO_LCA_A01.mzXML:scan:10356	Orbitrap	25	HCD	101	FQIM[UNIMOD:35]NEIVYEK	FQIMNEIVYEK	ox	true	1,145,803,448,519,537,500	[ 0, 0, 0, 1, 0, 0, 0.04318542778491974, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.22656679153442383, 0, 0, 0, 0, 0, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, ...
ELEASEELDTIC[UNIMOD:4]PK	ELEASEELDTIC+57.021PK	817.38593	null	2	2,890.03	[ 101.07102, 102.05505, 110.07124, 115.08614, 116.07043, 120.0804, 124.85661, 125.05967, 126.09126, 127.03831, 128.48051, 129.05391, 129.06584, 129.10219, 130.08621, 131.06975, 133.04283, 136.07549, 141.05418, 143.08102, 144.08043, 147.11278, 148.06047, 155.06998, 155.0...	[ 2292, 25713.2, 6809.9, 2079.1, 2253.1, 7868.7, 1545.5, 1567.9, 1892.1, 1985.4, 1465.5, 1619.3, 1701.4, 20933, 8749.3, 2221, 9909.6, 9065.8, 6932.6, 2776.2, 3480, 18297.5, 2095.2, 20159.4, 3498.9, 1903.8, 3710.5, 1778.6, 2283.1, 23589.7, 8968.8, 1786.9, ...	SulfenM_RKO_LCA_A01	10,360	SulfenM_RKO_LCA_A01.mzXML:scan:10360	Orbitrap	25	HCD	101	ELEASEELDTIC[UNIMOD:4]PK	ELEASEELDTICPK	cam	true	682,671,065,566,505,100	[ 0.21467936038970947, 0, 0, 0.6774424314498901, 0, 0, 0.32495975494384766, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.1595722734928131, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -1, -1, -1, -1, -1, -1, -1, -1, -1,...
VLNATESFVYEPK	VLNATESFVYEPK	748.888864	null	2	2,892.57	[ 101.07091, 102.05503, 109.02821, 110.07109, 111.04393, 112.93102, 113.05943, 114.09013, 115.07546, 120.08068, 122.08118, 125.05943, 127.03909, 127.07514, 128.06989, 129.05399, 129.10239, 130.08572, 131.07031, 136.07571, 141.05457, 141.06485, 141.10165, 142.05704, 143....	[ 7346.4, 5777.5, 9337.1, 6418.7, 6483.7, 1820.1, 3180.1, 1506, 1961.4, 14169.4, 11348.2, 8946.7, 2206.5, 2579.5, 1849.5, 1577.8, 20462, 7810.5, 2506.3, 12955.1, 18415.6, 3358, 2046.3, 1971.8, 8522.5, 2264.7, 20810, 1839.9, 91696.3, 18706, 1857.3, 8905.9, ...	SulfenM_RKO_LCA_A01	10,373	SulfenM_RKO_LCA_A01.mzXML:scan:10373	Orbitrap	25	HCD	101	VLNATESFVYEPK	VLNATESFVYEPK	null	false	894,076,242,760,626,700	[ 0, 0, 0, 0.7912154793739319, 0, 0, 0.3629770278930664, 0, 0, 0.07498139888048172, 0, 0, 0, 0, 0.06120976060628891, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, ...
LSIM[UNIMOD:35]IEEC[UNIMOD:4]GGLDK	LSIM+15.995IEEC+57.021GGLDK	740.857051	null	2	2,926.27	[ 101.05983, 101.07111, 102.05508, 107.86949, 109.02843, 110.07163, 111.04406, 112.07578, 120.08082, 122.05958, 122.0813, 124.07682, 125.10735, 126.09181, 127.0392, 128.07051, 128.10703, 129.06516, 129.10219, 130.08647, 130.10625, 131.08133, 133.0426, 136.07571, 141.054...	[ 2079.1, 12789.9, 7572.8, 1302.7, 1762, 14982.4, 2468.2, 2097.2, 11072.4, 1568.6, 2354.6, 1541.5, 2372.8, 1756.9, 1762.6, 2312.7, 1585.2, 1608.7, 30932.7, 19826.3, 1846.7, 2282.1, 1779.8, 13437.9, 2131.3, 9482.7, 1850.3, 2023.5, 6601.3, 1483, 1881.8, 1930...	SulfenM_RKO_LCA_A01	10,564	SulfenM_RKO_LCA_A01.mzXML:scan:10564	Orbitrap	25	HCD	101	LSIM[UNIMOD:35]IEEC[UNIMOD:4]GGLDK	LSIMIEECGGLDK	ox	true	120,138,035,385,356,700	[ 0, 0, 0, 0.47160837054252625, 0.12402688711881638, 0, 0.17794650793075562, 0, 0, 0.28123581409454346, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, ...

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Overview

PepSpecBench is a unified benchmark dataset designed for peptide MS/MS spectrum prediction.

Dataset Formats

To accommodate various modeling architectures and evaluation protocols, the data is provided in two distinct representations:

native: The complete, benchmark-ready full-spectrum representation with original m/z and intensity arrays.
canonical: A processed representation in a standardized 234-dimensional space, specifically designed for uniform benchmark evaluation across heterogeneous model architectures.

Repository Contents

The dataset is distributed across three primary data groups, each offered in both native and canonical formats:

massive_kb: Benchmark-ready data tables derived from MassIVE-KB (train/validation/test splits).
prospect: Benchmark-ready data tables derived from the PROSPECT dataset (train/validation/test splits).
ood: Cross-species out-of-distribution (OOD) evaluation tables (7 species-specific subsets).

Quick Start / Sample Data

The full dataset release exceeds 4 GB. For rapid preliminary inspection of the schema, post-translational modification (PTM) normalization, and overall data formatting, a lightweight sample package is provided in the sample_data config.

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