ACCESSION: MSBNK-Keio_Univ-KO002100
RECORD_TITLE: 5-Aminoindole; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-01bi-9800000000-fe03cdce3c1d61f2e765
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  42.800 14851.5 32
  68.700 19802.0 43
  70.000 321782.5 698
  71.100 19802.0 43
  73.800 94059.5 204
  87.900 272277.5 591
  88.900 128713.0 279
  92.500 19802.0 43
  106.100 252475.5 548
  116.200 460396.5 999
  117.100 69307.0 150
  132.300 14851.5 32
  133.000 89109.0 193
//