ACCESSION: MSBNK-Kazusa-KZ000153
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_04852_P000071

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 0.0000
AC$CHROMATOGRAPHY: RETENTION_TIME 1969.32 sec

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

PK$SPLASH: splash10-00kb-0970000000-10a155c40ea499023052
PK$NUM_PEAK: 147
PK$PEAK: m/z int. rel.int.
  82 1 1
  83 2 2
  84 11 11
  85 6 6
  86 19 19
  87 10 10
  88 3 3
  89 3 3
  90 3 3
  91 3 3
  92 1 1
  93 1 1
  96 1 1
  98 9 9
  99 4 4
  100 372 372
  101 58 58
  102 32 32
  103 26 26
  104 4 4
  105 8 8
  106 2 2
  107 1 1
  112 2 2
  113 3 3
  114 44 44
  115 112 112
  116 57 57
  117 27 27
  118 9 9
  119 6 6
  120 17 17
  121 2 2
  122 2 2
  128 4 4
  129 17 17
  130 25 25
  131 50 50
  132 61 61
  133 42 42
  134 11 11
  135 4 4
  136 1 1
  141 1 1
  142 4 4
  143 2 2
  144 26 26
  145 12 12
  146 835 835
  147 500 500
  148 200 200
  149 52 52
  150 12 12
  151 2 2
  152 1 1
  158 6 6
  159 8 8
  160 10 10
  161 5 5
  162 2 2
  163 10 10
  164 2 2
  165 1 1
  172 19 19
  173 4 4
  174 16 16
  175 4 4
  176 5 5
  177 1 1
  178 47 47
  179 11 11
  180 9 9
  181 2 2
  182 1 1
  184 1 1
  188 25 25
  189 9 9
  190 6 6
  191 2 2
  192 1 1
  194 1 1
  198 1 1
  200 1 1
  202 4 4
  203 11 11
  204 5 5
  205 3 3
  206 1 1
  207 1 1
  216 67 67
  217 23 23
  218 999 999
  219 207 207
  220 126 126
  221 27 27
  222 12 12
  223 3 3
  224 1 1
  231 4 4
  232 69 69
  233 18 18
  234 8 8
  235 1 1
  246 1 1
  248 7 7
  249 15 15
  250 10 10
  251 3 3
  252 3 3
  254 1 1
  260 17 17
  261 6 6
  262 7 7
  263 4 4
  264 114 114
  265 64 64
  266 206 206
  267 48 48
  268 27 27
  269 4 4
  270 1 1
  288 20 20
  289 14 14
  290 5 5
  291 7 7
  292 4 4
  293 1 1
  294 2 2
  295 1 1
  296 17 17
  297 35 35
  298 10 10
  299 6 6
  300 1 1
  321 1 1
  322 4 4
  323 2 2
  324 1 1
  338 6 6
  339 2 2
  340 2 2
  410 7 7
  411 66 66
  412 25 25
  413 16 16
  414 4 4
  415 1 1
//