ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002803
RECORD_TITLE: PSILOCYBIN; 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$NAME: PSILOCYBIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₇N₂O₄P
CH$EXACT_MASS: 284.09259
CH$SMILES: CN(C)CCC1=CNC2=C1C(=CC=C2)OP(=O)(O)O
CH$IUPAC: InChI=1S/C12H17N2O4P/c1-14(2)7-6-9-8-13-10-4-3-5-11(12(9)10)18-19(15,16)17/h3-5,8,13H,6-7H2,1-2H3,(H2,15,16,17)
CH$LINK: INCHIKEY QVDSEJDULKLHCG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0048898

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$SPLASH: splash10-0a4i-9010000000-fa35ae02266e8c5497f9
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  56 0.2 2
  57 1.2 12
  58 99.99 999
  59 0.37 4
  60 1 10
  61 0.1 1
  62 0.2 2
  63 0.11 1
  64 0.1 1
  65 1 10
  76 0.2 2
  77 0.01 0
  78 1.2 12
  79 0.1 1
  80 0.2 2
  130 0.12 1
  131 0.6 6
  132 0.4 4
  133 0.1 1
  140 0.02 0
  145 0.4 4
  146 3.2 32
  147 0.4 4
  158 0.03 0
  159 2.5 25
  160 1.4 14
  161 0.1 1
  202 0.09 1
  203 0.2 2
  204 15.4 154
  205 2.3 23
  206 0.03 0
  284 0.1 1
//