MassBank Record: MSBNK-Keio_Univ-KO002099
ACCESSION: MSBNK-Keio_Univ-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$LINK: NIKKAJI
J80.971C
CH$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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$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.
35.100 94059.5 105
40.400 14851.5 17
45.300 19802.0 22
68.700 24752.5 28
69.700 262376.5 294
70.900 44554.5 50
73.000 227723.0 255
74.000 257426.0 289
74.300 19802.0 22
75.200 14851.5 17
84.200 74257.5 83
88.100 534654.0 599
97.700 69307.0 78
106.200 163366.5 183
116.100 891090.0 999
133.200 846535.5 949
134.100 19802.0 22
//
system version 2.2.6-SNAPSHOT