ACCESSION: MSBNK-Keio_Univ-KO002097
RECORD_TITLE: 4-Aminoindole; LC-ESI-QQ; MS2; CE:50 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 50 V

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

PK$SPLASH: splash10-002r-9100000000-f18ee5311dac66f8c3e5
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  39.000 108911.0 16
  51.200 94059.5 14
  61.800 44554.5 7
  62.900 3207924.0 469
  63.900 103960.5 15
  65.100 311881.5 46
  66.000 183168.5 27
  67.100 504951.0 74
  72.700 9901.0 1
  75.700 29703.0 4
  76.600 193069.5 28
  77.000 2935646.5 430
  78.000 643565.0 94
  79.200 960397.0 141
  80.200 346535.0 51
  87.900 49505.0 7
  89.000 6826739.5 999
  90.100 1000001.0 146
  91.100 103960.5 15
  91.900 74257.5 11
  93.100 74257.5 11
  94.900 173267.5 25
  96.300 44554.5 7
  104.100 866337.5 127
  105.000 247525.0 36
  106.100 732674.0 107
  115.100 89109.0 13
  115.700 118812.0 17
  116.200 326733.0 48
  117.000 435644.0 64
  131.200 346535.0 51
  131.900 217822.0 32
//