MassBank Record: MSBNK-Keio_Univ-KO003445
ACCESSION: MSBNK-Keio_Univ-KO003445
RECORD_TITLE: 1-Methylnicotinamide; 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 M063
CH$NAME: 1-Methylnicotinamide
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C7H9N2O+
CH$EXACT_MASS: 137.07149
CH$SMILES: NC(=O)c(c1)c[n+1](C)cc1
CH$IUPAC: InChI=1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1
CH$LINK: CAS
3106-60-3
CH$LINK: CHEBI
16797
CH$LINK: KEGG
C02918
CH$LINK: NIKKAJI
J66.624F
CH$LINK: PUBCHEM
SID:5841
CH$LINK: INCHIKEY
LDHMAVIPBRSVRG-UHFFFAOYSA-O
CH$LINK: COMPTOX
DTXSID10185019
AC$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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 138
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-002f-9000000000-a17b3a63979577f6fa9e
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
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//