MassBank Record: KO002099

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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$LINK: COMPTOX DTXSID5063734
CH$LINK: INCHIKEY ZCBIFHNDZBSCEP-UHFFFAOYSA-N
CH$LINK: NIKKAJI J80.971C
CH$LINK: PUBCHEM SID:8147228

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.
  35.1 94059.5 105.0
  40.4 14851.5 17.0
  45.3 19802.0 22.0
  68.7 24752.5 28.0
  69.7 262376.0 294.0
  70.9 44554.5 50.0
  73.0 227723.0 255.0
  74.0 257426.0 289.0
  74.3 19802.0 22.0
  75.2 14851.5 17.0
  84.2 74257.5 83.0
  88.1 534654.0 599.0
  97.7 69307.0 78.0
  106.2 163366.0 183.0
  116.1 891090.0 999.0
  133.2 846536.0 949.0
  134.1 19802.0 22.0
//