ACCESSION: MSBNK-Keio_Univ-KO002096
RECORD_TITLE: 4-Aminoindole; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-05n0-9600000000-bde882b11cedba1d79a3
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  39.300 39604.0 3
  44.900 34653.5 2
  53.800 44554.5 3
  63.000 1311882.5 83
  65.200 405941.0 26
  66.100 247525.0 16
  67.100 747525.5 47
  70.000 49505.0 3
  73.100 29703.0 2
  76.000 39604.0 3
  77.100 3836637.5 243
  78.000 816832.5 52
  79.100 3440597.5 218
  80.000 569307.5 36
  88.100 99010.0 6
  89.000 15752491.0 999
  90.100 1871289.0 119
  91.100 113861.5 7
  91.900 89109.0 6
  93.100 851486.0 54
  95.000 336634.0 21
  95.900 64356.5 4
  104.300 816832.5 52
  104.900 797030.5 51
  106.200 7920800.0 502
  114.200 34653.5 2
  116.200 5985154.5 380
  117.000 3069310.0 195
  131.000 1079209.0 68
  132.000 2163368.5 137
  133.300 202970.5 13
  134.100 331683.5 21
//