ACCESSION: MSBNK-Keio_Univ-KO000018
RECORD_TITLE: Anthranilic acid; LC-ESI-QQ; MS2; CE:50 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: Anthranilic acid
CH$NAME: 2-Aminobenzoate
CH$NAME: Vitamin L1
CH$NAME: o-Aminobenzoic acid
CH$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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V

MS$FOCUSED_ION: PRECURSOR_M/Z 136
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0006-9000000000-94f19baa1ae36f43be60
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  40.400 113861.5 39
  50.000 128713.0 44
  65.000 1198021.0 412
  66.200 153465.5 53
  75.000 108911.0 37
  90.200 336634.0 116
  92.300 2905943.5 999
//