ACCESSION: MSBNK-RIKEN-PR010225
RECORD_TITLE: Cysteamine; GC-EI-TOF; MS; 3 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$NAME: Cysteamine
CH$NAME: beta-Mercaptoethylamine
CH$NAME: Thioethanolamine
CH$NAME: beta-Aminoethanethiol
CH$NAME: Mercaptamine
CH$NAME: 2-Aminoethanethiol
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₂H₇NS
CH$EXACT_MASS: 77.02992
CH$SMILES: NCCS
CH$IUPAC: InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2
CH$LINK: CAS 60-23-1
CH$LINK: CHEBI 17141
CH$LINK: KEGG C01678
CH$LINK: NIKKAJI J62.801H
CH$LINK: PUBCHEM 4821
CH$LINK: INCHIKEY UFULAYFCSOUIOV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3022875

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$CHROMATOGRAPHY: RETENTION_INDEX 2218.3
AC$CHROMATOGRAPHY: RETENTION_TIME 555.72 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C11H31NSSi3
MS$FOCUSED_ION: DERIVATIVE_MASS 293.1485
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-7900000000-25e27a3413a3e9bd6e86
PK$NUM_PEAK: 90
PK$PEAK: m/z int. rel.int.
  60 27 27
  61 14 14
  63 1 1
  66 1 1
  67 1 1
  69 1 1
  70 21 21
  71 11 11
  72 33 33
  73 999 999
  74 98 98
  75 36 36
  76 3 3
  77 9 9
  78 1 1
  79 1 1
  83 1 1
  84 6 6
  85 9 9
  86 272 272
  87 27 27
  88 12 12
  89 4 4
  90 2 2
  91 11 11
  92 1 1
  93 1 1
  98 5 5
  99 6 6
  100 251 251
  101 38 38
  102 23 23
  103 4 4
  104 3 3
  105 14 14
  106 1 1
  107 1 1
  113 9 9
  114 28 28
  115 11 11
  116 44 44
  117 16 16
  118 15 15
  119 3 3
  120 1 1
  128 1 1
  129 4 4
  130 87 87
  131 25 25
  132 32 32
  133 7 7
  134 3 3
  135 1 1
  142 1 1
  143 1 1
  144 4 4
  145 1 1
  146 21 21
  147 7 7
  148 11 11
  149 5 5
  150 1 1
  151 1 1
  158 7 7
  159 1 1
  160 1 1
  161 1 1
  163 1 1
  172 30 30
  173 6 6
  174 863 863
  175 163 163
  176 82 82
  177 10 10
  178 2 2
  187 1 1
  188 49 49
  189 10 10
  190 51 51
  191 10 10
  192 7 7
  193 1 1
  204 6 6
  205 2 2
  206 2 2
  219 1 1
  220 68 68
  221 14 14
  222 8 8
  223 1 1
//