ACCESSION: MSBNK-Kazusa-KZ000117
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_05437_P000045

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 0.0000
AC$CHROMATOGRAPHY: RETENTION_TIME 1000.28 sec

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

PK$SPLASH: splash10-00di-1900000000-e26f666cab18d523e475
PK$NUM_PEAK: 88
PK$PEAK: m/z int. rel.int.
  82 2 2
  83 4 4
  84 11 11
  85 16 16
  86 362 362
  87 37 37
  88 18 18
  89 7 7
  90 3 3
  91 20 20
  92 2 2
  93 3 3
  95 2 2
  97 1 1
  98 16 16
  99 13 13
  100 401 401
  101 58 58
  102 37 37
  103 7 7
  104 5 5
  105 22 22
  106 2 2
  107 2 2
  110 1 1
  112 1 1
  113 16 16
  114 62 62
  115 22 22
  116 87 87
  117 20 20
  118 30 30
  119 10 10
  120 3 3
  121 1 1
  128 2 2
  129 8 8
  130 142 142
  131 38 38
  132 48 48
  133 12 12
  134 8 8
  135 1 1
  142 3 3
  143 2 2
  144 9 9
  145 1 1
  146 27 27
  147 13 13
  148 26 26
  149 11 11
  150 5 5
  151 1 1
  152 1 1
  157 1 1
  158 13 13
  159 3 3
  160 1 1
  161 1 1
  162 1 1
  163 2 2
  170 2 2
  171 1 1
  172 119 119
  173 26 26
  174 999 999
  175 209 209
  176 90 90
  177 14 14
  178 4 4
  186 1 1
  187 7 7
  188 74 74
  189 11 11
  190 93 93
  191 15 15
  192 11 11
  193 1 1
  194 1 1
  202 1 1
  204 20 20
  205 13 13
  206 7 7
  207 2 2
  219 4 4
  220 29 29
  221 7 7
  222 4 4
//