MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003183
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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)
CH$LINK: INCHIKEY
WKSAUQYGYAYLPV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9021217
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
//