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: KNA00534
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: 156.279849,159.893658,161.910717,164.662174,167.011163,169.786753,173.983879,176.89806,178.919991,180.948271,183.912644,186.873216,189.652959,192.928345,195.966027,199.51615,202.886527,206.928916,212.851269,215.972395,219.845297,223.930906,226.953839,229.047572,231.939302,236.553104,239.902093,241.93749,247.145541,249.969211,252.57439,254.788903,256.909702,261.969355,264.428233,268.891982,271.950955,273.996795,276.866555,278.882851,280.963956,285.643063,287.944395,290.553226,293.960816,296.14877,298.762804,300.904078,304.898875,307.006952,309.916831,314.927666,321.006445,323.866898,326.981247,329.973068,332.893656,335.482547,337.993723,342.958562,346.314054,348.877869,350.924386,353.928061,356.854538,358.930633,361.952028,364.939281,367.940999,370.956957,373.346889,380.860453,382.934567,385.910736,388.920287,391.902146,395.846772,399.390919,401.682327,403.921416,409.905749,416.878265,418.894077,426.86528,435.395554,437.907214,443.724606,448.856318,454.870176,458.020669,460.942138,464.88806,466.903874,479.790602,481.978183,486.881182,493.197581,495.398425,499.274969,501.937067,503.96153,508.924726,511.909469,514.883021,519.948348,523.967598,526.21815,529.197809,532.913361,535.89858,538.920772,541.930463,544.835667,554.930598,557.896293,560.173765,563.174073,565.860165,568.158481,571.816966,573.8659,586.200878,589.913465,593.885588,599.847246,609.860466,612.283425,615.868499,617.909295,622.179739,625.822632,628.844635,632.260865,653.705628,656.871649,659.394822,661.935779,667.892752,674.284318,679.836111,686.930629,690.944897,702.271947,707.323516,722.328904,724.888461,726.905925,734.484857,740.904882,746.896275,751.261572,755.233731,768.829121,778.833592,786.444819,794.434618,816.805855,821.229746,828.881517,838.793733,844.917584,856.841975,863.692176,871.30473,877.921402,881.38656,894.918001,899.905674,905.418808,913.971893,921.086747,928.878414,937.002337,951.873117,962.125456,965.506044,971.897147,974.236926,997.761357,1000.177284,1005.933068,1007.979589,1037.589496,1040.589059,1043.289614,1065.211966,1081.37434,1083.877918,1086.48492,1091.890801,1105.965432,1155.9558,1165.068163,1167.77011,1175.315727,1181.245444,1186.563496,1194.331284,1200.892996,1205.909169,1229.567626,1241.398453,1249.519857,1253.853702,1255.953397,1258.952477,1265.978062,1282.503233,1286.774466,1289.228505,1305.953902,1317.984451,1355.948671,1358.943995,1364.421586,1366.97704,1369.271605,1382.957032,1387.632819,1405.569039,1415.185696,1427.526797,1436.711376,1455.936047,1465.969084,1482.955151,1496.009439,1498.71332,
Replicated queried mass peaks: 101.287801, 102.879404, 105.120068, 105.739777, 111.35552, 112.924863, 112.985648, 113.491286, 115.953082, 123.951717, 124.306278, 132.917416, 137.776252, 139.006887, 139.983028, 141.101126, 143.101611, 144.27831, 144.908026, 146.987953, 148.952461, 148.996777, 149.186976, 149.980917, 151.095476, 151.488191, 151.904367, 151.946823, 151.969472, 151.988233, 151.990003, 151.99319, 151.996022, 151.997084, 151.999208, 152.002041, 152.003811, 152.004873, 152.006644, 152.00806, 152.011247, 152.012663, 152.014434, 152.015496, 152.016558, 152.020099, 152.023286, 152.034619, 152.047016, 152.099808, 152.471546, 152.947875, 153.001495, 153.005428, 153.006858, 153.994952, 153.99784, 154.000368, 154.006145, 157.497229, 159.970083, 160.841743, 160.846368, 161.984308, 162.838737, 162.874076, 162.906284, 164.774008, 165.962036, 167.978097, 167.993317, 167.994551, 167.997019, 167.999076, 168.00031, 168.96175, 169.813925, 169.992587, 174.918078, 175.655998, 175.820614, 177.936103, 178.794809, 179.933036, 181.290899, 183.973917, 183.991833, 184.290668, 184.460947, 184.463314, 184.876279, 185.429854, 190.635265, 192.982529, 192.986581, 193.970434, 196.092032, 197.021363, 203.991179, 207.959099, 208.943346, 213.929006, 213.980446, 219.972218, 220.952456, 221.326478, 227.255158, 228.590466, 229.944166, 230.417895, 230.491924, 230.904359, 230.943475, 231.007143, 232.939569, 233.937532, 241.89768, 242.943094, 243.894522, 247.371786, 247.980809, 248.933813, 250.918692, 250.941221, 252.89473, 252.953246, 253.887692, 254.918807, 256.971174, 262.888205, 262.992119, 265.007603, 265.991668, 268.939472, 270.890703, 273.91284, 273.936824, 274.92113, 276.890927, 277.941983, 278.89869, 279.906346, 281.902338, 281.986414, 282.93712, 285.949772, 286.932546, 289.931046, 295.837048, 296.959239, 302.681067, 302.883133, 304.931065, 304.977347, 305.004517, 305.011562, 305.019613, 305.054842, 305.406459, 306.014403, 307.015083, 308.88348, 310.932586, 311.16786, 316.411131, 322.909911, 325.183485, 326.993535, 327.002473, 327.996803, 328.878454, 328.898738, 328.961854, 328.969745, 328.978764, 328.98891, 328.996802, 330.877488, 330.913878, 330.965063, 333.439398, 336.325809, 338.927804, 342.966962, 342.988563, 343.942234, 344.893838, 344.964036, 346.900466, 346.910232, 346.932206, 348.880331, 348.888949, 348.898799, 348.928351, 348.97515, 349.892082, 349.931654, 350.030613, 350.892096, 355.927881, 356.89275, 356.938612, 357.911435, 357.922948, 357.929345, 359.919356, 360.926421, 362.903633, 362.925838, 362.955884, 365.942372, 366.938981, 368.935078, 372.013446, 372.647332, 372.854, 372.867603, 372.888008, 373.853047, 373.918609, 374.886283, 374.904111, 374.924684, 375.167569, 380.912416, 380.941913, 381.938406, 382.058305, 386.923926, 387.925233, 390.898553, 390.916076, 399.395443, 400.883479, 402.790374, 418.447373, 418.745096, 418.83901, 418.853585, 418.866542, 418.871401, 418.879499, 418.902176, 418.907036, 418.915135, 418.919995, 418.937815, 419.043137, 419.341497, 419.395041, 419.885525, 419.896904, 420.857658, 420.898441, 436.894428, 436.90478, 436.913407, 436.918583, 438.900942, 438.909628, 438.958275, 439.765608, 444.915465, 448.904832, 449.927236, 456.835871, 458.886757, 464.899423, 464.908892, 464.914574, 464.929725, 465.902881, 480.003126, 480.611684, 483.336463, 494.948758, 495.900861, 495.967632, 500.878574, 501.983811, 510.904371, 510.930554, 511.940106, 512.351776, 512.908758, 514.960285, 515.886605, 516.859825, 519.955068, 524.221481, 525.022874, 527.200182, 528.203312, 530.199729, 531.192933, 533.921195, 540.902254, 540.914137, 540.935529, 543.904616, 545.23714, 555.264169, 555.902497, 556.934061, 560.888336, 560.903394, 561.888518, 562.16794, 563.864037, 563.912103, 564.147465, 564.165187, 565.169073, 566.162916, 567.167038, 568.929408, 571.858302, 571.881555, 571.886723, 571.90481, 571.925482, 571.946156, 572.140023, 572.19691, 572.403842, 572.906117, 572.919071, 573.899666, 574.193296, 574.911428, 575.873645, 587.842688, 587.899239, 588.200984, 590.908179, 594.887628, 595.848238, 609.877539, 611.277104, 616.264287, 616.923817, 618.260579, 618.911681, 618.923318, 619.185218, 619.904845, 619.916509, 624.175404, 633.01244, 633.503189, 633.831677, 654.995887, 660.557608, 662.747346, 669.778376, 669.870083, 675.135278, 688.286428, 708.914873, 724.914273, 725.914617, 726.920736, 747.30137, 747.896106, 748.870844, 753.257395, 769.780515, 769.933871, 786.840815, 817.944932, 822.231076, 822.917487, 878.929754, 879.915187, 882.48013, 896.148354, 900.906168, 905.980119, 906.980441, 921.853033, 967.083692, 975.243098, 1005.969235, 1006.976678, 1065.994028, 1085.389646, 1092.252172, 1106.897166, 1106.966746, 1156.958865, 1157.955792, 1165.985321, 1166.986407, 1176.832099, 1201.215421, 1205.95664, 1206.962121, 1242.688575, 1256.954705, 1257.948782, 1260.549053, 1266.982865, 1267.988864, 1282.97194, 1306.962046, 1356.949159, 1357.941301, 1365.974981, 1456.944164, 1457.942812, 1466.977026,
Processing time: 0:00:01.219175
Queried mass list: ['100.438', '102.482', '104.511', '109.985', '112.556', '114.952', '117.817', '123.943', '127.642', '131.392', '134.468', '137.108', '139.398', '143.035', '145.915', '148.627', '150.971', '152.999']

Queried mass	Num. matched formulas	Num. matched fragments
100.437698 (link to fragments)	1	1
102.481728 (link to fragments)	1	1
104.511241 (link to fragments)	1	1
109.984533 (link to fragments)	1	1
112.556443	No match found!	No match found!
114.951622	No match found!	No match found!
117.816913	No match found!	No match found!
123.942853	No match found!	No match found!
127.641565	No match found!	No match found!
131.391605 (link to fragments)	2	5
134.468487 (link to fragments)	2	5
137.107736 (link to fragments)	2	5
139.398478	No match found!	No match found!
143.034687	No match found!	No match found!
145.915454 (link to fragments)	1	1
148.627396 (link to fragments)	1	1
150.970634 (link to fragments)	1	1
152.998992 (link to fragments)	1	1