ACCESSION: MSBNK-Keio_Univ-KO001485
RECORD_TITLE: N-Methylanthranilic acid; LC-ESI-QQ; MS2; CE:40 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 M127

CH$NAME: N-Methylanthranilate
CH$NAME: 2-(Methylamino)benzoic acid
CH$NAME: N-Methylanthranilic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₉NO₂
CH$EXACT_MASS: 151.06333
CH$SMILES: CNc(c1)c(ccc1)C(O)=O
CH$IUPAC: InChI=1S/C8H9NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h2-5,9H,1H3,(H,10,11)
CH$LINK: CAS 119-68-6
CH$LINK: CHEBI 16394
CH$LINK: KEGG C03005
CH$LINK: NIKKAJI J5.315E
CH$LINK: PUBCHEM SID:5914
CH$LINK: INCHIKEY WVMBPWMAQDVZCM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6059491

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 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 150
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-056u-9000000000-8b5c78380a5f0b31f620
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  58.900 29703.0 666
  77.100 44554.5 999
  90.900 24752.5 555
//