ACCESSION: MSBNK-Keio_Univ-KO002101
RECORD_TITLE: 5-Aminoindole; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-00kr-9300000000-1eda26e0d8bd8013fba3
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  56.200 39604.0 118
  69.800 118812.0 353
  72.600 34653.5 103
  73.000 59406.0 176
  76.900 24752.5 73
  79.200 14851.5 44
  88.100 44554.5 132
  89.000 336634.0 999
  91.800 19802.0 59
  105.800 84158.5 250
  116.000 138614.0 411
  116.400 54455.5 162
//