MassBank Record: KO003541



 Methimazole; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003541
RECORD_TITLE: Methimazole; LC-ESI-QQ; MS2; CE:50 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 M126

CH$NAME: 2-Mercapto-1-methylimidazole CH$NAME: Methimazole CH$COMPOUND_CLASS: N/A CH$FORMULA: C4H6N2S CH$EXACT_MASS: 114.02517 CH$SMILES: Cn(c1)c(S)nc1 CH$IUPAC: InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7) CH$LINK: KEGG C07190 CH$LINK: INCHIKEY PMRYVIKBURPHAH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020820
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 115 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a60-9000000000-7637560408e70990bc27 PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 22.200 19802.0 200 56.200 54455.5 549 57.100 74257.5 749 81.100 99010.0 999 81.400 29703.0 300 //

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