MassBank Record: MSBNK-Keio_Univ-KO002098
ACCESSION: MSBNK-Keio_Univ-KO002098
RECORD_TITLE: 5-Aminoindole; LC-ESI-QQ; MS2; CE:10 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 133
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0159-3900000000-a361a32eae777e21f647
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
35.200 836634.5 157
36.100 74257.5 14
50.300 14851.5 3
55.000 44554.5 8
58.900 9901.0 2
68.900 64356.5 12
73.000 559406.5 105
73.800 227723.0 43
75.000 19802.0 4
78.800 14851.5 3
83.200 965347.5 182
83.800 39604.0 7
87.800 173267.5 33
88.300 64356.5 12
92.000 59406.0 11
96.700 49505.0 9
97.700 44554.5 8
98.700 34653.5 7
101.100 297030.0 56
115.200 108911.0 20
116.100 5311886.5 999
118.700 19802.0 4
133.100 2762379.0 520
//
system version 2.2.6-SNAPSHOT