ACCESSION: MSBNK-Keio_Univ-KO002095
RECORD_TITLE: 4-Aminoindole; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID A035

CH$NAME: 4-Aminoindole
CH$NAME: 4-Indolamine
CH$NAME: 4-Iodoanthranilic acid
CH$NAME: 1H-Indol-4-ylamine
CH$NAME: 1H-indol-4-amine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈N₂
CH$EXACT_MASS: 132.06875
CH$SMILES: C1=CC2=C(C=CN2)C(=C1)N
CH$IUPAC: InChI=1S/C8H8N2/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,10H,9H2
CH$LINK: CAS 5192-23-4
CH$LINK: NIKKAJI J80.973J
CH$LINK: PUBCHEM SID:10405816
CH$LINK: INCHIKEY LUNUNJFSHKSXGQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50342629

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 133
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-066r-1900000000-9d8732104722cdb7d9d4
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  44.100 19802.0 1
  63.400 29703.0 1
  65.100 143564.5 6
  66.900 470297.5 20
  69.900 84158.5 4
  72.800 49505.0 2
  73.700 44554.5 2
  77.100 826733.5 35
  78.100 277228.0 12
  79.200 2990102.0 127
  80.300 138614.0 6
  89.000 6509907.5 277
  90.300 257426.0 11
  90.500 34653.5 1
  91.100 14851.5 1
  92.100 143564.5 6
  93.000 2148517.0 92
  94.800 113861.5 5
  95.800 69307.0 3
  103.800 282178.5 12
  105.500 475248.0 20
  106.000 23455469.0 999
  114.700 29703.0 1
  116.200 22242596.5 947
  117.200 6608917.5 281
  117.900 103960.5 4
  131.000 514852.0 22
  132.000 6287135.0 268
  133.000 6425749.0 274
  134.100 2074259.5 88
//