L-Cysteine Sulfinic acid; LC-ESI-ITFT; MS; NEG

Outputs for L-Cysteine Sulfinic acid; LC-ESI-ITFT; MS; NEG

Database: Graduate School of Information Science, NAIST
Entry ID: KNA00720
Synonyms: 3-Sulfino-L-alanine, L-Cysteinesulfinic acid, 3-Sulphino-L-alanine, 3-Sulfinoalanine, L-Cysteine Sulfinic acid
Total mass: 153.1567
Formula: H7 C3 S1 O4 N1

Structure file (with ALATIS unique atom labels)

Experimental information

MS type: MS
Instrument: LTQ Orbitrap XL, Thermo Scientfic
Instrument type: LC-ESI-ITFT
Ionization: ESI
Ionization mode: NEGATIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks: 160.841743,167.993728,173.983446,177.936103,183.991362,186.865012,198.993261,212.902908,222.958476,228.875424,231.939302,241.01091,243.894522,249.905756,252.919806,257.0062,259.027159,272.08827,282.980285,287.925011,302.937914,305.003511,307.079123,316.980796,320.948862,325.183485,328.968618,336.999204,342.958562,348.917269,356.924598,358.94605,360.970471,366.938981,378.971741,382.904838,411.886933,414.027317,426.020086,429.029593,434.01369,436.992787,442.925724,449.977726,453.953293,455.995815,458.020669,463.953951,466.953436,473.959138,477.929618,502.94777,518.435203,521.054412,527.035557,541.013977,543.035713,551.934588,557.008564,560.971164,563.970297,566.104382,571.964246,584.947969,587.022265,602.98766,606.883716,608.956628,610.980256,618.961137,630.938346,640.942626,672.060243,688.05791,694.043502,697.020431,710.007357,715.978148,725.981134,731.990327,737.960802,740.033123,747.961803,779.080038,801.062639,804.043695,808.121064,817.026421,822.997773,825.022178,831.992146,847.051399,878.988833,905.980119,922.959224,932.090525,954.074101,976.008831,978.034012,984.999688,1005.975263,1039.106639,1061.092474,1083.022226,1093.030069,1105.965432,1115.012378,1155.9558,1165.992843,1205.95664,1255.944988,1258.952477,1265.986573,1305.944986,1355.939238,1365.974981,1455.936047,1465.958479,
Replicated queried mass peaks: 138.979953, 138.98181, 151.904014, 151.969472, 151.986109, 151.988941, 151.990357, 151.991773, 151.993898, 151.996022, 151.997084, 151.999208, 152.00027, 152.002041, 152.004519, 152.007706, 152.00983, 152.010893, 152.012309, 152.015496, 152.017975, 152.023641, 152.034619, 152.100163, 153.005071, 153.99784, 154.006145, 160.962052, 162.838737, 167.997019, 167.999487, 168.990385, 168.999931, 169.992587, 183.993248, 184.352604, 184.875804, 198.996443, 198.998034, 199.000686, 199.003869, 200.004224, 200.906649, 201.005142, 222.972314, 223.000624, 230.872543, 241.89768, 242.917341, 249.969211, 258.804405, 258.886232, 258.940542, 258.949202, 258.963373, 258.966523, 258.970459, 258.975184, 258.980696, 258.983058, 258.98542, 258.992507, 258.998807, 259.003532, 259.009045, 259.011407, 259.015345, 259.021646, 259.034248, 259.037399, 259.038974, 259.041337, 259.045276, 259.047639, 259.050002, 259.052365, 259.057879, 259.062606, 259.067333, 259.069696, 259.07206, 259.074423, 259.076787, 259.094908, 259.098848, 259.239949, 260.018466, 260.024804, 260.028764, 260.030349, 260.037479, 260.927062, 261.025832, 261.029019, 305.011562, 305.017601, 306.014403, 306.076106, 307.006952, 318.977637, 326.993535, 329.935701, 338.914837, 338.959635, 338.987934, 348.92712, 350.91445, 356.98958, 356.998501, 357.922948, 358.930633, 411.994348, 412.005408, 412.018048, 412.022788, 412.030689, 412.04175, 412.055972, 413.03433, 413.045431, 414.035275, 428.025679, 434.02394, 435.01647, 435.988329, 436.008969, 436.015849, 449.986743, 450.008385, 454.950834, 455.947987, 456.946577, 456.953959, 457.049939, 457.944748, 459.085543, 464.942984, 465.950384, 467.950168, 518.845802, 518.919494, 518.96863, 518.9865, 518.990967, 518.999903, 519.006604, 519.013306, 519.022242, 519.033412, 519.040114, 519.051285, 519.066924, 519.071393, 519.08033, 519.087033, 519.10044, 519.107143, 519.118316, 519.151837, 519.259125, 519.670704, 520.035718, 520.053642, 520.069327, 520.073809, 522.058074, 541.021109, 541.032997, 541.049641, 542.035352, 543.009416, 544.012476, 561.971567, 562.16794, 562.967078, 564.165187, 564.963515, 565.042172, 567.108348, 572.970892, 588.025836, 588.999573, 609.004896, 611.142925, 673.065321, 674.066043, 695.046383, 696.020215, 716.025204, 716.981808, 717.969406, 780.083459, 781.084695, 802.065924, 803.040998, 803.066795, 823.046843, 824.051499, 825.071429, 826.070824, 832.999604, 849.029695, 933.091333, 956.053702, 986.010884, 1006.976678, 1063.067366, 1106.966746, 1166.993939, 1206.962121, 1256.954705, 1257.948782, 1356.949159, 1357.931847, 1457.921777, 1466.987641,
Processing time: 0:00:00.749913
Queried mass list: ['101.024', '138.977', '150.980', '153.001']

Queried mass	Num. matched formulas	Num. matched fragments
101.024465 (link to fragments)	1	1
138.977476 (link to fragments)	2	3
150.979747 (link to fragments)	1	1
153.001495 (link to fragments)	1	1