MassBank Record: MSBNK-Keio_Univ-KO002044
ACCESSION: MSBNK-Keio_Univ-KO002044
RECORD_TITLE: Anthranilic acid; 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 A010
CH$NAME: Anthranilate
CH$NAME: o-Aminobenzoic acid
CH$NAME: Anthranilic acid
CH$NAME: 2-Aminobenzoate
CH$NAME: Vitamin L1
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H7NO2
CH$EXACT_MASS: 137.04768
CH$SMILES: OC(=O)c(c1)c(N)ccc1
CH$IUPAC: InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)
CH$LINK: CAS
118-92-3
CH$LINK: CHEBI
30754
CH$LINK: CHEMPDB BE2
CH$LINK: KEGG
C00108
CH$LINK: NIKKAJI
J2.912B
CH$LINK: PUBCHEM
SID:3408
CH$LINK: INCHIKEY
RWZYAGGXGHYGMB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8020094
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 138
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-4900000000-f8f84a5536375300afbd
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
40.100 29703.0 2
41.200 19802.0 1
42.800 39604.0 3
45.000 59406.0 4
59.200 608911.5 43
61.400 34653.5 2
65.000 34653.5 2
69.100 2767329.5 195
70.000 2623765.0 185
73.600 34653.5 2
74.200 19802.0 1
84.900 14851.5 1
89.200 297030.0 21
91.900 1435645.0 101
93.300 19802.0 1
103.000 183168.5 13
110.200 14851.5 1
120.200 14158430.0 999
121.000 450495.5 32
138.200 232673.5 16
//
system version 2.2.6-SNAPSHOT