ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003524
RECORD_TITLE: INDOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: INDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₇N
CH$EXACT_MASS: 117.05785
CH$SMILES: C1=CC=C2C(=C1)C=CN2
CH$IUPAC: InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
CH$LINK: INCHIKEY SIKJAQJRHWYJAI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0020737

AC$INSTRUMENT: HITACHI M-68
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-014i-9800000000-33bf321019a6a8e3401a
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  17 1.3 13
  18 5.3 53
  27 1.5 15
  28 10.2 102
  32 1.8 18
  37 1.4 14
  38 2.6 26
  39 0.35 4
  41 1 10
  50 2.9 29
  51 2.6 26
  52 0.17 2
  58.5 6.7 67
  62 5.2 52
  63 10.5 105
  64 0.39 4
  65 1.3 13
  74 1 10
  86 1.4 14
  87 0.16 2
  88 1.8 18
  89 23.2 232
  90 36 360
  91 0.32 3
  116 9 90
  117 99.99 999
  118 9.3 93
//