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

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

Database: Graduate School of Information Science, NAIST
Entry ID: KNA00129
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: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks: 156.01231,158.096003,161.110293,163.129523,166.018172,168.122845,170.98135,173.010643,175.035155,178.034839,180.066262,182.189309,184.98529,187.120742,190.046798,193.929107,196.007514,199.180373,206.952593,213.15872,216.20598,218.983245,221.114659,223.131214,225.195268,228.231451,232.169093,234.955572,239.933898,242.984054,247.979009,250.199964,255.155217,259.225713,261.984653,264.130698,267.965785,271.93667,274.157534,277.199902,280.161171,282.220291,291.905055,294.225799,299.181639,305.194169,307.97441,320.293539,323.019796,326.021046,334.933652,338.252048,343.016085,345.033677,350.251546,359.935616,365.941686,371.202105,378.939879,382.970584,391.148429,393.289058,398.950586,413.263556,419.311567,422.323179,426.355027,434.32363,436.341219,438.916035,452.933076,456.928514,461.933829,464.370027,470.942922,475.379199,478.349236,484.921577,490.386985,493.959029,498.042274,502.959496,507.93693,544.28859,591.926356,690.896823,798.585172,803.539991,1221.99586,1321.992409,
Replicated queried mass peaks: 100.111848, 100.11374, 101.095699, 101.115285, 102.012921, 102.033553, 102.091007, 108.011154, 109.021948, 110.020836, 110.521266, 111.019815, 112.017456, 113.963374, 114.127166, 116.998316, 126.500624, 126.987102, 128.106709, 128.950559, 129.127203, 130.007768, 130.031571, 130.158817, 130.491545, 130.508722, 130.517453, 134.039259, 134.486797, 136.000981, 136.003677, 136.006074, 136.008171, 136.00907, 136.021055, 137.132305, 137.511942, 138.0018, 138.494895, 139.982321, 140.01048, 142.122204, 143.039341, 149.023248, 149.024966, 149.025653, 149.026341, 150.026498, 153.835025, 153.916868, 153.955829, 153.983255, 153.988669, 153.991917, 153.992639, 153.994805, 153.999497, 154.00058, 154.002385, 154.003468, 154.004551, 154.005995, 154.007078, 154.008161, 154.010327, 154.01141, 154.013576, 154.016464, 154.018992, 154.020075, 154.021519, 154.022602, 154.023324, 154.024407, 154.025852, 154.026935, 154.028018, 154.029462, 154.031629, 154.033434, 154.037406, 154.038129, 154.040295, 154.041017, 154.042462, 154.043906, 154.045351, 154.050046, 154.077136, 154.116519, 154.198586, 154.572875, 154.989704, 154.999909, 155.013761, 155.015584, 155.019958, 155.02324, 155.142526, 156.020408, 156.145638, 158.002552, 158.960868, 159.099132, 159.112399, 163.132671, 163.134639, 163.136607, 164.136124, 167.012526, 167.017418, 167.033727, 168.013372, 168.174738, 169.012866, 170.011674, 170.096285, 171.005423, 171.100077, 171.110223, 171.13517, 171.136438, 171.138553, 171.141936, 171.142782, 171.144473, 171.145742, 171.149125, 171.15124, 171.152932, 171.155892, 171.159699, 171.188041, 171.992572, 172.111502, 172.140933, 172.152452, 172.169092, 172.956066, 172.97669, 172.981417, 173.013222, 173.01752, 173.020959, 173.023538, 173.024828, 173.026548, 173.027837, 173.031707, 173.077717, 174.023903, 174.124112, 174.127584, 174.13149, 175.089406, 175.130548, 176.092758, 176.142644, 179.063653, 180.03295, 180.158947, 180.989441, 181.03222, 181.979075, 181.987885, 182.0287, 182.984796, 183.028285, 183.032494, 184.025752, 185.114144, 186.184865, 187.122192, 187.12606, 187.129445, 187.130895, 187.187964, 188.128987, 188.130937, 188.142635, 189.12133, 194.116962, 194.17419, 195.002212, 195.086593, 195.12211, 196.153765, 200.183421, 207.093814, 208.068843, 208.190213, 214.002399, 215.157172, 217.104082, 220.111375, 223.063237, 223.066384, 224.062086, 224.947806, 225.059369, 226.158371, 229.973734, 232.9898, 233.173966, 233.177329, 234.177254, 235.167956, 240.106682, 240.179082, 244.237292, 248.962187, 249.965405, 251.993143, 256.262765, 256.962344, 261.167989, 261.988658, 267.969099, 268.080989, 277.203389, 278.203372, 278.231421, 279.158552, 279.162076, 280.164715, 282.224768, 283.223259, 299.185549, 307.025165, 307.028214, 308.241029, 308.991662, 321.225628, 322.22078, 322.257928, 324.013388, 324.914201, 326.029941, 326.037725, 326.041061, 327.03188, 327.176029, 328.024977, 343.206958, 343.210561, 344.936852, 346.938481, 352.043775, 360.942502, 379.947863, 391.244886, 391.249271, 391.258042, 391.266813, 391.271198, 391.282894, 391.293128, 391.297514, 391.303362, 391.306286, 391.320907, 391.41889, 392.273046, 392.286254, 392.296527, 414.266682, 426.363342, 427.35282, 427.359495, 427.376183, 435.164302, 437.163587, 437.343196, 457.931932, 465.373418, 478.35714, 479.352704, 479.943988, 484.957885, 498.937825, 545.292554, 592.920475, 804.543384,
Processing time: 0:00:01.203609
Queried mass list: ['100.110', '107.070', '110.020', '113.059', '115.112', '117.981', '122.964', '125.986', '128.018', '130.123', '133.079', '136.000', '138.135', '141.958', '144.982', '149.020', '151.097', '153.463']

Queried mass	Num. matched formulas	Num. matched fragments
100.110334 (link to fragments)	1	1
107.069996 (link to fragments)	1	1
110.019746 (link to fragments)	1	1
113.059253	No match found!	No match found!
115.11154	No match found!	No match found!
117.981172	No match found!	No match found!
122.963604	No match found!	No match found!
125.985947	No match found!	No match found!
128.018019	No match found!	No match found!
130.122642 (link to fragments)	2	5
133.079206 (link to fragments)	2	5
136.000082 (link to fragments)	2	5
138.135405 (link to fragments)	2	5
141.95849	No match found!	No match found!
144.98186 (link to fragments)	1	1
149.020499 (link to fragments)	1	1
151.09673 (link to fragments)	1	1
153.463412 (link to fragments)	1	1