ACCESSION: MSBNK-Kazusa-KZ000043
RECORD_TITLE: L-Cysteine; GC-EI-TOF; MS; 4 TMS; BP:218
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01556_P000271

CH$NAME: L-Cysteine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₃H₇NO₂S
CH$EXACT_MASS: 121.01975
CH$SMILES: N[C@@H](CS)C(O)=O
CH$IUPAC: InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
CH$LINK: CAS 52-90-4
CH$LINK: KEGG C00097
CH$LINK: INCHIKEY XUJNEKJLAYXESH-REOHCLBHSA-N
CH$LINK: COMPTOX DTXSID8022876

AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
AC$INSTRUMENT_TYPE: GC-EI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$CHROMATOGRAPHY: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 2373.0
AC$CHROMATOGRAPHY: RETENTION_TIME 1061.83 sec

MS$FOCUSED_ION: BASE_PEAK 218
MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00kb-0950000000-df7e91c95b610ff21c79
PK$NUM_PEAK: 163
PK$PEAK: m/z int. rel.int.
  82 4 4
  83 6 6
  84 26 26
  85 21 21
  86 35 35
  87 16 16
  88 6 6
  89 8 8
  90 8 8
  91 19 19
  92 4 4
  93 6 6
  94 1 1
  95 2 2
  96 2 2
  97 1 1
  98 17 17
  99 11 11
  100 520 520
  101 81 81
  102 40 40
  103 37 37
  104 6 6
  105 11 11
  106 5 5
  107 3 3
  108 1 1
  110 1 1
  111 1 1
  112 3 3
  113 5 5
  114 54 54
  115 156 156
  116 80 80
  117 34 34
  118 11 11
  119 8 8
  120 18 18
  121 3 3
  122 2 2
  126 1 1
  128 8 8
  129 42 42
  130 36 36
  131 59 59
  132 86 86
  133 50 50
  134 12 12
  135 5 5
  136 1 1
  137 1 1
  141 1 1
  142 5 5
  143 4 4
  144 32 32
  145 13 13
  146 919 919
  147 512 512
  148 207 207
  149 53 53
  150 12 12
  151 3 3
  152 1 1
  156 1 1
  157 1 1
  158 8 8
  159 11 11
  160 12 12
  161 7 7
  162 3 3
  163 10 10
  164 2 2
  165 2 2
  170 1 1
  172 19 19
  173 5 5
  174 21 21
  175 5 5
  176 5 5
  177 1 1
  178 52 52
  179 12 12
  180 10 10
  181 2 2
  182 1 1
  184 1 1
  188 26 26
  189 9 9
  190 8 8
  191 3 3
  192 1 1
  193 1 1
  194 1 1
  198 1 1
  200 2 2
  201 1 1
  202 7 7
  203 14 14
  204 7 7
  205 3 3
  206 2 2
  207 1 1
  216 61 61
  217 19 19
  218 999 999
  219 206 206
  220 130 130
  221 27 27
  222 12 12
  223 3 3
  224 1 1
  230 1 1
  231 4 4
  232 106 106
  233 23 23
  234 10 10
  235 2 2
  236 1 1
  246 2 2
  247 1 1
  248 8 8
  249 13 13
  250 11 11
  251 3 3
  252 3 3
  254 1 1
  260 10 10
  261 6 6
  262 6 6
  263 4 4
  264 107 107
  265 54 54
  266 171 171
  267 40 40
  268 23 23
  269 4 4
  270 1 1
  288 15 15
  289 13 13
  290 5 5
  291 7 7
  292 4 4
  293 1 1
  294 2 2
  295 1 1
  296 21 21
  297 49 49
  298 14 14
  299 8 8
  300 1 1
  321 1 1
  322 5 5
  323 2 2
  324 1 1
  338 8 8
  339 3 3
  340 2 2
  410 7 7
  411 74 74
  412 28 28
  413 18 18
  414 5 5
  415 1 1
//