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MassBank Record: KO002093

4-Aminoindole; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO002093
RECORD_TITLE: 4-Aminoindole; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-001i-0900000000-8a611533a5132d4a2d00
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  35.100 396040.0 3
  49.500 44554.5 1
  55.300 64356.5 1
  64.600 9901.0 1
  69.100 113861.5 1
  69.800 9901.0 1
  73.300 480198.5 4
  74.000 148515.0 1
  79.100 34653.5 1
  83.300 1816833.5 14
  86.800 19802.0 1
  87.300 34653.5 1
  88.100 108911.0 1
  97.700 19802.0 1
  101.200 188119.0 1
  106.100 554456.0 4
  114.900 59406.0 1
  116.200 4603965.0 35
  117.000 173267.5 1
  131.100 29703.0 1
  132.300 321782.5 2
  133.100 133039737.0 999
  134.000 202970.5 2
  151.200 69307.0 1
//

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