MassBank Record: JP003183



 PYRIMETHAMINE; CI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003183
RECORD_TITLE: PYRIMETHAMINE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YOSHIZUMI H, FAC. OF PHARMACY, MEIJO UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: PYRIMETHAMINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H13ClN4 CH$EXACT_MASS: 248.08287 CH$SMILES: CCc(n2)c(c(N)nc(N)2)c(c1)ccc(Cl)c1 CH$IUPAC: InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: CI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-0002-0090000000-4e966bed391e234a23e3 PK$NUM_PEAK: 6 PK$PEAK: m/z int. rel.int. 247 1 10 248 7 70 249 99.99 999 250 16 160 251 33 330 252 5 50 //