MassBank Record: MSBNK-Keio_Univ-KO002094
ACCESSION: MSBNK-Keio_Univ-KO002094
RECORD_TITLE: 4-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 A035
CH$NAME: 4-Aminoindole
CH$NAME: 4-Indolamine
CH$NAME: 4-Iodoanthranilic acid
CH$NAME: 1H-Indol-4-ylamine
CH$NAME: 1H-indol-4-amine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8N2
CH$EXACT_MASS: 132.06875
CH$SMILES: C1=CC2=C(C=CN2)C(=C1)N
CH$IUPAC: InChI=1S/C8H8N2/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,10H,9H2
CH$LINK: CAS
5192-23-4
CH$LINK: NIKKAJI
J80.973J
CH$LINK: PUBCHEM
SID:10405816
CH$LINK: INCHIKEY
LUNUNJFSHKSXGQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID50342629
AC$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$SPLASH: splash10-001i-0900000000-174d1e881d4cfe0695aa
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
35.000 74257.5 1
40.800 9901.0 1
44.900 49505.0 1
58.900 34653.5 1
59.300 29703.0 1
67.200 44554.5 1
68.900 39604.0 1
69.900 89109.0 2
73.000 217822.0 4
73.800 128713.0 2
75.900 24752.5 1
78.600 39604.0 1
78.900 193069.5 3
86.800 39604.0 1
88.100 311881.5 5
88.900 163366.5 3
92.100 89109.0 2
93.200 1019803.0 17
97.800 29703.0 1
98.100 39604.0 1
98.700 19802.0 1
104.100 29703.0 1
106.000 11450506.5 193
110.300 29703.0 1
116.200 12445557.0 210
117.200 3113864.5 52
130.800 34653.5 1
131.900 3965350.5 67
133.100 59306990.0 999
134.000 1826734.5 31
144.100 79208.0 1
467.900 19802.0 1
//