ACCESSION: MSBNK-RIKEN-PR010015
RECORD_TITLE: L-Cysteine; GC-EI-TOF; MS; 4 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: L-Cysteine
CH$NAME: L-2-Amino-3-mercaptopropionic acid
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$LINK: CHEBI 17561
CH$LINK: CHEMPDB FCY
CH$LINK: KEGG C00097
CH$LINK: NIKKAJI J9.167G
CH$LINK: PUBCHEM 3397
CH$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$CHROMATOGRAPHY: RETENTION_INDEX 2283.7
AC$CHROMATOGRAPHY: RETENTION_TIME 535.313 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C15H39NO2SSi4
MS$FOCUSED_ION: DERIVATIVE_MASS 409.17786
MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-9850000000-118c43e33861a6baa8d2
PK$NUM_PEAK: 139
PK$PEAK: m/z int. rel.int.
  60 13 13
  61 12 12
  62 1 1
  63 1 1
  64 1 1
  66 6 6
  67 1 1
  70 26 26
  71 5 5
  72 26 26
  73 999 999
  74 110 110
  75 101 101
  76 15 15
  77 25 25
  78 2 2
  79 4 4
  82 1 1
  83 2 2
  84 6 6
  85 5 5
  86 14 14
  87 7 7
  88 2 2
  89 3 3
  90 3 3
  91 6 6
  92 1 1
  93 2 2
  95 1 1
  98 6 6
  99 3 3
  100 221 221
  101 35 35
  102 17 17
  103 14 14
  104 2 2
  105 4 4
  106 1 1
  107 1 1
  112 1 1
  113 2 2
  114 26 26
  115 68 68
  116 33 33
  117 15 15
  118 4 4
  119 3 3
  120 10 10
  121 1 1
  122 1 1
  128 3 3
  129 11 11
  130 16 16
  131 30 30
  132 42 42
  133 25 25
  134 6 6
  135 2 2
  142 2 2
  143 1 1
  144 11 11
  145 5 5
  146 359 359
  147 190 190
  148 87 87
  149 21 21
  150 5 5
  151 1 1
  158 3 3
  159 4 4
  160 4 4
  161 2 2
  162 1 1
  163 4 4
  164 1 1
  172 8 8
  173 2 2
  174 9 9
  175 2 2
  176 2 2
  178 19 19
  179 4 4
  180 4 4
  181 1 1
  188 14 14
  189 4 4
  190 3 3
  191 1 1
  200 1 1
  202 4 4
  203 7 7
  204 3 3
  205 1 1
  206 1 1
  216 27 27
  217 8 8
  218 359 359
  219 74 74
  220 47 47
  221 9 9
  222 4 4
  223 1 1
  231 2 2
  232 42 42
  233 9 9
  234 4 4
  248 3 3
  249 5 5
  250 4 4
  251 1 1
  252 1 1
  260 4 4
  261 2 2
  262 2 2
  263 1 1
  264 34 34
  265 19 19
  266 69 69
  267 15 15
  268 8 8
  269 1 1
  288 7 7
  289 5 5
  290 2 2
  291 2 2
  292 1 1
  296 8 8
  297 23 23
  298 6 6
  299 4 4
  322 2 2
  338 3 3
  339 1 1
  410 2 2
  411 26 26
  412 9 9
  413 6 6
  414 1 1
//