ACCESSION: MSBNK-Keio_Univ-KO003544
RECORD_TITLE: N-Methylanthranilic 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 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 POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 152
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0592-9200000000-3684f6153677daea6c03
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  41.300 158416.0 18
  42.900 44554.5 5
  45.000 8792088.0 999
  55.000 49505.0 6
  56.900 64356.5 7
  59.200 2252477.5 256
  69.800 19802.0 2
  73.000 6707927.5 762
  77.000 876238.5 100
  78.100 168317.0 19
  79.200 1410892.5 160
  80.800 44554.5 5
  84.000 14851.5 2
  88.100 79208.0 9
  88.900 574258.0 65
  91.000 2623765.0 298
  95.100 79208.0 9
  98.600 24752.5 3
  103.600 29703.0 3
  105.000 198020.0 23
  106.000 2524755.0 287
  116.300 1811883.0 206
  132.100 123762.5 14
  134.000 1772279.0 201
//