ACCESSION: MSBNK-Keio_Univ-KO002102
RECORD_TITLE: 5-Aminoindole; LC-ESI-QQ; MS2; CE:50 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 50 V

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

PK$SPLASH: splash10-000i-9000000000-8e41e6e0631d34dc1b48
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  62.900 74257.5 468
  70.400 44554.5 281
  72.300 29703.0 187
  77.100 19802.0 125
  89.100 158416.0 999
  90.500 39604.0 250
//