MassBank Record: MSBNK-Keio_Univ-KO002095
ACCESSION: MSBNK-Keio_Univ-KO002095
RECORD_TITLE: 4-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 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 133
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-066r-1900000000-9d8732104722cdb7d9d4
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
44.100 19802.0 1
63.400 29703.0 1
65.100 143564.5 6
66.900 470297.5 20
69.900 84158.5 4
72.800 49505.0 2
73.700 44554.5 2
77.100 826733.5 35
78.100 277228.0 12
79.200 2990102.0 127
80.300 138614.0 6
89.000 6509907.5 277
90.300 257426.0 11
90.500 34653.5 1
91.100 14851.5 1
92.100 143564.5 6
93.000 2148517.0 92
94.800 113861.5 5
95.800 69307.0 3
103.800 282178.5 12
105.500 475248.0 20
106.000 23455469.0 999
114.700 29703.0 1
116.200 22242596.5 947
117.200 6608917.5 281
117.900 103960.5 4
131.000 514852.0 22
132.000 6287135.0 268
133.000 6425749.0 274
134.100 2074259.5 88
//