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MassBank Record: KO003546

N-Methylanthranilic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO003546
RECORD_TITLE: N-Methylanthranilic 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 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 50 V

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

PK$SPLASH: splash10-004j-9000000000-3eeab274e028bdf63552
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  28.400 14851.5 7
  39.500 24752.5 11
  40.800 59406.0 26
  45.000 1727724.5 761
  51.100 173267.5 76
  63.300 29703.0 13
  65.100 222772.5 98
  77.000 2267329.0 999
  78.100 153465.5 68
  79.000 128713.0 57
  89.100 153465.5 68
  90.300 29703.0 13
  90.800 272277.5 120
  94.900 94059.5 41
  103.800 19802.0 9
  106.100 54455.5 24
//

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