ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002009
RECORD_TITLE: INDOLE; 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$NAME: INDOLE
CH$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$INSTRUMENT: MX-1303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-014i-6900000000-46fcfaaffc06e51d1bb9
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  27 2.7 27
  29 1.6 16
  30 2.1 21
  38 0.15 2
  39 5 50
  40 1.1 11
  41 3.4 34
  42 0.15 2
  43 4.1 41
  50 1.6 16
  51 2.3 23
  52 0.13 1
  55 3 30
  56 1.4 14
  57 2.4 24
  58.5 1.05 11
  60 1.2 12
  62 3.1 31
  63 8.3 83
  64 0.31 3
  65 1.2 12
  67 1.2 12
  69 2.3 23
  70 0.12 1
  71 1.3 13
  73 1.2 12
  81 1 10
  83 0.13 1
  87 1.2 12
  88 2.3 23
  89 20.5 205
  90 3.31 33
  91 3.5 35
  97 1.2 12
  98 1.2 12
  115 0.13 1
  116 7.8 78
  117 99.99 999
  118 9 90
//