ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002807
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$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-014i-9800000000-4160749bd673d5e00048
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  27 3.9 39
  28 11 110
  29 0.2 2
  31 0.02 0
  32 0.1 1
  36 0.7 7
  37 4.7 47
  38 0.67 7
  39 9.8 98
  40 1.9 19
  41 1.5 15
  42 0.01 0
  43 0.9 9
  44 0.3 3
  45 0.1 1
  48 0.03 0
  49 1.5 15
  50 6 60
  51 5.1 51
  52 0.32 3
  53 0.5 5
  54 0.2 2
  56 0.1 1
  57 0.01 0
  58 1 10
  59 0.9 9
  60 0.5 5
  61 0.37 4
  62 8.2 82
  63 15 150
  64 5.3 53
  65 0.17 2
  66 0.4 4
  67 0.3 3
  73 0.4 4
  74 0.15 2
  75 1.3 13
  76 1.1 11
  77 0.5 5
  78 0.01 0
  79 0.1 1
  84 0.3 3
  85 1.1 11
  86 0.19 2
  87 2.2 22
  88 2.9 29
  89 25.5 255
  90 3.77 38
  91 3.7 37
  92 0.1 1
  111 0.1 1
  114 0.05 1
  115 0.9 9
  116 8.7 87
  117 99.99 999
  118 9.1 91
  119 0.04 0
//