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MassBank Record: KO002099

5-Aminoindole; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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

ACCESSION: KO002099
RECORD_TITLE: 5-Aminoindole; LC-ESI-QQ; MS2; CE:20 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 A036

CH$NAME: 5-Aminoindole
CH$NAME: 1H-indol-5-amine
CH$NAME: Indol-5-ylamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8N2
CH$EXACT_MASS: 132.06875
CH$SMILES: C1=CC2=C(C=CN2)C=C1N
CH$IUPAC: InChI=1S/C8H8N2/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,9H2
CH$LINK: CAS 5192-03-0
CH$LINK: CHEBI 33067
CH$LINK: NIKKAJI J80.971C
CH$LINK: PUBCHEM SID:8147228
CH$LINK: INCHIKEY ZCBIFHNDZBSCEP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5063734

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 20 V

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

PK$SPLASH: splash10-015i-7900000000-034d7d8ef60866a260c0
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  35.100 94059.5 105
  40.400 14851.5 17
  45.300 19802.0 22
  68.700 24752.5 28
  69.700 262376.5 294
  70.900 44554.5 50
  73.000 227723.0 255
  74.000 257426.0 289
  74.300 19802.0 22
  75.200 14851.5 17
  84.200 74257.5 83
  88.100 534654.0 599
  97.700 69307.0 78
  106.200 163366.5 183
  116.100 891090.0 999
  133.200 846535.5 949
  134.100 19802.0 22
//

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