ACCESSION: MSBNK-Kazusa-KZ000152
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_05050_P000056

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 1059.76 sec

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

PK$SPLASH: splash10-00kb-0940000000-aefe34765fb447090a23
PK$NUM_PEAK: 188
PK$PEAK: m/z int. rel.int.
  82 5 5
  83 8 8
  84 29 29
  85 24 24
  86 48 48
  87 23 23
  88 8 8
  89 11 11
  90 12 12
  91 25 25
  92 6 6
  93 10 10
  94 1 1
  95 3 3
  96 3 3
  97 2 2
  98 24 24
  99 13 13
  100 731 731
  101 116 116
  102 59 59
  103 50 50
  104 9 9
  105 16 16
  106 6 6
  107 4 4
  108 2 2
  109 1 1
  110 2 2
  111 1 1
  112 5 5
  113 7 7
  114 80 80
  115 227 227
  116 119 119
  117 49 49
  118 17 17
  119 11 11
  120 28 28
  121 4 4
  122 3 3
  123 1 1
  126 1 1
  127 1 1
  128 12 12
  129 46 46
  130 52 52
  131 92 92
  132 142 142
  133 80 80
  134 21 21
  135 9 9
  136 2 2
  137 1 1
  138 1 1
  139 1 1
  140 1 1
  141 1 1
  142 7 7
  143 5 5
  144 37 37
  145 16 16
  146 959 959
  147 588 588
  148 306 306
  149 74 74
  150 21 21
  151 5 5
  152 2 2
  153 1 1
  156 1 1
  157 1 1
  158 10 10
  159 14 14
  160 18 18
  161 9 9
  162 4 4
  163 16 16
  164 4 4
  165 3 3
  166 1 1
  167 1 1
  170 1 1
  171 1 1
  172 28 28
  173 6 6
  174 27 27
  175 6 6
  176 7 7
  177 2 2
  178 66 66
  179 16 16
  180 14 14
  181 3 3
  182 2 2
  183 1 1
  184 2 2
  185 1 1
  186 1 1
  187 1 1
  188 40 40
  189 12 12
  190 10 10
  191 4 4
  192 2 2
  193 1 1
  194 2 2
  195 1 1
  198 1 1
  200 3 3
  201 1 1
  202 10 10
  203 21 21
  204 11 11
  205 5 5
  206 3 3
  207 2 2
  208 1 1
  214 1 1
  215 1 1
  216 71 71
  217 24 24
  218 999 999
  219 216 216
  220 137 137
  221 29 29
  222 15 15
  223 4 4
  224 1 1
  230 1 1
  231 6 6
  232 110 110
  233 24 24
  234 11 11
  235 2 2
  236 1 1
  246 2 2
  247 1 1
  248 10 10
  249 20 20
  250 14 14
  251 5 5
  252 3 3
  253 1 1
  254 1 1
  259 1 1
  260 15 15
  261 7 7
  262 6 6
  263 6 6
  264 95 95
  265 52 52
  266 180 180
  267 42 42
  268 24 24
  269 4 4
  270 1 1
  276 1 1
  277 1 1
  287 1 1
  288 20 20
  289 14 14
  290 5 5
  291 7 7
  292 4 4
  293 2 2
  294 2 2
  295 3 3
  296 27 27
  297 48 48
  298 14 14
  299 8 8
  300 2 2
  321 2 2
  322 6 6
  323 2 2
  324 1 1
  337 1 1
  338 9 9
  339 3 3
  340 2 2
  341 1 1
  410 24 24
  411 67 67
  412 27 27
  413 17 17
  414 5 5
  415 1 1
//