ACCESSION: MSBNK-Keio_Univ-KO002045
RECORD_TITLE: Anthranilic acid; 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 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 30 V

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

PK$SPLASH: splash10-00r6-9200000000-fccd86d3a0a4bfe2e5d7
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  43.000 64356.5 11
  44.400 54455.5 9
  45.200 34653.5 6
  59.100 287129.0 48
  65.200 1316833.0 219
  66.000 24752.5 4
  69.300 2193071.5 365
  70.200 1980200.0 330
  74.300 34653.5 6
  77.700 14851.5 2
  89.300 14851.5 2
  91.100 39604.0 7
  91.900 6000006.0 999
  102.100 9901.0 2
  109.900 39604.0 7
  111.200 19802.0 3
  120.100 3089112.0 514
  121.000 19802.0 3
  137.800 44554.5 7
//