ACCESSION: MSBNK-RIKEN-PR010095
RECORD_TITLE: Serotonin; GC-EI-TOF; MS; 5 TMS; BP:174
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$NAME: 5-Hydoxytryptamine
CH$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 153-98-0
CH$LINK: NIKKAJI J237.870A
CH$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$CHROMATOGRAPHY: RETENTION_INDEX 2497.1
AC$CHROMATOGRAPHY: RETENTION_TIME 568.626 sec

MS$FOCUSED_ION: BASE_PEAK 174
MS$FOCUSED_ION: DERIVATIVE_FORM C25H52N2OSi5
MS$FOCUSED_ION: DERIVATIVE_MASS 536.2926
MS$FOCUSED_ION: DERIVATIVE_TYPE 5 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-6900000000-a7dd5c569cf4d085d244
PK$NUM_PEAK: 155
PK$PEAK: m/z int. rel.int.
  60 12 12
  61 9 9
  62 1 1
  63 3 3
  64 1 1
  65 2 2
  66 1 1
  67 1 1
  69 1 1
  70 5 5
  71 5 5
  72 12 12
  73 770 770
  74 74 74
  75 34 34
  76 6 6
  77 11 11
  78 2 2
  83 2 2
  84 3 3
  85 4 4
  86 257 257
  87 25 25
  88 11 11
  89 5 5
  90 3 3
  91 4 4
  92 1 1
  93 1 1
  98 1 1
  99 2 2
  100 114 114
  101 21 21
  102 31 31
  103 9 9
  104 2 2
  105 2 2
  107 1 1
  113 3 3
  114 4 4
  115 17 17
  116 12 12
  117 21 21
  118 5 5
  119 3 3
  120 1 1
  121 2 2
  126 1 1
  127 2 2
  128 13 13
  129 19 19
  130 38 38
  131 17 17
  132 7 7
  133 4 4
  134 2 2
  135 2 2
  136 1 1
  137 1 1
  140 1 1
  141 2 2
  142 7 7
  143 8 8
  144 14 14
  145 5 5
  146 36 36
  147 8 8
  148 4 4
  149 1 1
  150 1 1
  154 2 2
  155 1 1
  156 5 5
  157 2 2
  158 9 9
  159 4 4
  160 6 6
  161 2 2
  162 2 2
  163 1 1
  169 1 1
  170 5 5
  171 2 2
  172 15 15
  173 5 5
  174 999 999
  175 186 186
  176 91 91
  177 11 11
  178 2 2
  179 1 1
  181 1 1
  184 3 3
  185 2 2
  186 6 6
  187 2 2
  188 21 21
  189 5 5
  190 3 3
  191 1 1
  193 1 1
  198 1 1
  199 1 1
  200 4 4
  201 2 2
  202 14 14
  203 4 4
  204 5 5
  205 1 1
  213 1 1
  214 1 1
  215 2 2
  216 6 6
  217 2 2
  218 39 39
  219 11 11
  220 3 3
  221 1 1
  229 1 1
  230 3 3
  231 3 3
  232 5 5
  233 2 2
  234 1 1
  236 1 1
  246 1 1
  248 1 1
  249 1 1
  260 3 3
  261 1 1
  262 1 1
  271 1 1
  272 1 1
  273 1 1
  274 2 2
  275 1 1
  276 3 3
  277 1 1
  278 1 1
  287 1 1
  288 1 1
  289 13 13
  290 5 5
  291 1 1
  292 1 1
  303 7 7
  304 2 2
  305 1 1
  375 1 1
  376 1 1
  377 15 15
  378 6 6
  379 2 2
  392 3 3
  393 1 1
//