MassBank Record: KO003532



 4-Methylpyrazole; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003532
RECORD_TITLE: 4-Methylpyrazole; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID M124

CH$NAME: 4-Methylpyrazole CH$NAME: Fomepizole CH$COMPOUND_CLASS: N/A CH$FORMULA: C4H6N2 CH$EXACT_MASS: 82.05310 CH$SMILES: CC1=CNN=C1 CH$IUPAC: InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6) CH$LINK: CAS 7554-65-6 CH$LINK: KEGG C07837 CH$LINK: NIKKAJI J35.396E CH$LINK: PUBCHEM SID:10039 CH$LINK: INCHIKEY RIKMMFOAQPJVMX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3040649
AC$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 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 83 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-9000000000-a316743b875614673db9 PK$NUM_PEAK: 7 PK$PEAK: m/z int. rel.int. 35.300 39604.0 1 50.100 153465.5 1 51.200 242574.5 1 56.300 44554.5 1 65.200 247525.0 1 82.000 64356.5 1 83.200 199005149.5 999 //

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