MassBank Record: MSBNK-Keio_Univ-KO002100
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
//
system version 2.2.6-SNAPSHOT