ACCESSION: MSBNK-Kazusa-KZ000020
RECORD_TITLE: Cysteamine; GC-EI-TOF; MS; 3 TMS; BP:174
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_01454_P000126

CH$NAME: Cysteamine
CH$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: KEGG C01678
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$CHROMATOGRAPHY: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 2218.5
AC$CHROMATOGRAPHY: RETENTION_TIME 1001.81 sec

MS$FOCUSED_ION: BASE_PEAK 174
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-1900000000-287334efed4c27d47e62
PK$NUM_PEAK: 79
PK$PEAK: m/z int. rel.int.
  82 1 1
  83 2 2
  84 11 11
  85 14 14
  86 404 404
  87 41 41
  88 18 18
  89 7 7
  90 4 4
  91 18 18
  92 2 2
  93 1 1
  95 1 1
  98 10 10
  99 10 10
  100 398 398
  101 63 63
  102 39 39
  103 8 8
  104 6 6
  105 23 23
  106 3 3
  107 2 2
  112 1 1
  113 15 15
  114 49 49
  115 20 20
  116 74 74
  117 27 27
  118 24 24
  119 5 5
  120 2 2
  128 2 2
  129 7 7
  130 143 143
  131 41 41
  132 55 55
  133 11 11
  134 5 5
  135 1 1
  142 2 2
  143 1 1
  144 7 7
  145 2 2
  146 37 37
  147 12 12
  148 17 17
  149 7 7
  150 2 2
  151 1 1
  156 1 1
  158 9 9
  159 2 2
  160 1 1
  161 1 1
  163 1 1
  164 1 1
  172 44 44
  173 9 9
  174 999 999
  175 200 200
  176 91 91
  177 11 11
  178 2 2
  187 2 2
  188 71 71
  189 14 14
  190 74 74
  191 14 14
  192 10 10
  193 1 1
  204 11 11
  205 4 4
  206 3 3
  219 2 2
  220 122 122
  221 25 25
  222 16 16
  223 2 2
//