ACCESSION: MSBNK-Kazusa-KZ000265
RECORD_TITLE: Serotonin; GC-EI-TOF; MS; 5 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_01421_P000067

CH$NAME: Serotonin
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₀H₁₂N₂O
CH$EXACT_MASS: 176.09496
CH$SMILES: C1=CC2=C(C=C1O)C(=CN2)CCN
CH$IUPAC: InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
CH$LINK: CAS 50-67-9
CH$LINK: KEGG C00780
CH$LINK: INCHIKEY QZAYGJVTTNCVMB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8075330

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 2769.7
AC$CHROMATOGRAPHY: RETENTION_TIME 1182.21 sec

MS$FOCUSED_ION: BASE_PEAK 174
MS$FOCUSED_ION: DERIVATIVE_TYPE 5 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-1900000000-2286e87324e9f4a78cb4
PK$NUM_PEAK: 134
PK$PEAK: m/z int. rel.int.
  83 3 3
  84 6 6
  85 7 7
  86 378 378
  87 39 39
  88 17 17
  89 9 9
  90 4 4
  91 6 6
  92 1 1
  93 1 1
  95 1 1
  98 1 1
  99 3 3
  100 178 178
  101 35 35
  102 47 47
  103 13 13
  104 3 3
  105 2 2
  107 1 1
  113 6 6
  114 7 7
  115 25 25
  116 19 19
  117 30 30
  118 8 8
  119 4 4
  120 1 1
  121 2 2
  127 3 3
  128 19 19
  129 28 28
  130 75 75
  131 28 28
  132 11 11
  133 6 6
  134 3 3
  135 2 2
  136 1 1
  137 1 1
  140 1 1
  141 3 3
  142 11 11
  143 11 11
  144 19 19
  145 7 7
  146 81 81
  147 17 17
  148 7 7
  149 1 1
  154 2 2
  155 1 1
  156 5 5
  157 1 1
  158 9 9
  159 3 3
  160 6 6
  161 3 3
  162 2 2
  163 1 1
  169 1 1
  170 7 7
  171 2 2
  172 17 17
  173 7 7
  174 999 999
  175 201 201
  176 93 93
  177 12 12
  178 2 2
  181 1 1
  184 4 4
  185 2 2
  186 7 7
  187 3 3
  188 31 31
  189 7 7
  190 3 3
  191 1 1
  198 1 1
  199 1 1
  200 5 5
  201 2 2
  202 21 21
  203 6 6
  204 8 8
  205 2 2
  206 1 1
  213 1 1
  214 1 1
  215 3 3
  216 9 9
  217 4 4
  218 60 60
  219 15 15
  220 4 4
  221 1 1
  229 1 1
  230 5 5
  231 4 4
  232 7 7
  233 3 3
  234 1 1
  236 1 1
  244 1 1
  246 2 2
  248 2 2
  258 1 1
  260 4 4
  261 2 2
  262 2 2
  271 1 1
  272 1 1
  273 1 1
  274 2 2
  275 1 1
  276 4 4
  277 1 1
  287 1 1
  288 2 2
  289 20 20
  290 7 7
  291 2 2
  302 1 1
  303 11 11
  304 3 3
  305 1 1
  375 1 1
  376 2 2
  377 20 20
  378 7 7
  379 3 3
  392 1 1
//