MassBank Record: MSBNK-Keio_Univ-KO003546
ACCESSION: MSBNK-Keio_Univ-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
//