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MassBank Record: JP003736

4-HYDROXY-N,N-DIMETHYLTRYPTAMINE PSILOCIN; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP003736
RECORD_TITLE: 4-HYDROXY-N,N-DIMETHYLTRYPTAMINE PSILOCIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 4-HYDROXY-N,N-DIMETHYLTRYPTAMINE PSILOCIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H16N2O
CH$EXACT_MASS: 204.12626
CH$SMILES: CN(C)CCC1=CNC2=C1C(=CC=C2)O
CH$IUPAC: InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3
CH$LINK: INCHIKEY SPCIYGNTAMCTRO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5048899

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-9000000000-62ea72268c3ac8349f99
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  26 0.5 5
  27 3.7 37
  29 0.8 8
  30 0.16 2
  50 0.3 3
  51 0.8 8
  52 0.3 3
  57 0.08 1
  58 99.99 999
  59 3.8 38
  63 0.8 8
  64 0.01 0
  65 0.8 8
  77 0.9 9
  78 1.1 11
  89 0.07 1
  90 0.3 3
  91 0.7 7
  102 0.5 5
  103 0.04 0
  104 0.3 3
  115 0.8 8
  116 0.3 3
  117 0.09 1
  118 0.7 7
  130 1.1 11
  131 0.5 5
  145 0.04 0
  146 3 30
  147 0.4 4
  159 2.4 24
  160 0.13 1
  161 0.1 1
  202 0.5 5
  203 0.1 1
  204 1.52 15
  205 2 20
//

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