ACCESSION: MSBNK-Keio_Univ-KO002043
RECORD_TITLE: Anthranilic acid; 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 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 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 138
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-00di-2900000000-c2bbbe5e00434e635ad2
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  39.900 153465.5 11
  40.400 24752.5 2
  59.100 113861.5 8
  62.000 19802.0 1
  69.200 3886142.5 271
  70.000 3435647.0 240
  73.600 59406.0 4
  78.200 608911.5 43
  83.100 34653.5 2
  84.500 24752.5 2
  85.200 14851.5 1
  88.700 133663.5 9
  89.000 331683.5 23
  91.200 59406.0 4
  92.200 257426.0 18
  102.700 504951.0 35
  105.100 79208.0 6
  106.000 183168.5 13
  120.100 14301994.5 999
  121.200 10217832.0 714
  133.100 29703.0 2
  138.000 10049515.0 702
  139.000 39604.0 3
  150.700 34653.5 2
//