MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003186
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003186
RECORD_TITLE: SULFAPYRIDINE; 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$NAME: SULFAPYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H11N3O2S
CH$EXACT_MASS: 249.05720
CH$SMILES: Nc(c2)ccc(c2)S(=O)(=O)Nc(c1)nccc1
CH$IUPAC: InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)
CH$LINK: INCHIKEY
GECHUMIMRBOMGK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3026067
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: splash10-0udi-0090000000-6205fa17064877bf03df
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
250 99.99 999
251 13 130
//