ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003159
RECORD_TITLE: CARBROMAL; 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$NAME: CARBROMAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₃BrN₂O₂
CH$EXACT_MASS: 236.01604
CH$SMILES: NC(=O)NC(=O)C(Br)(CC)CC
CH$IUPAC: InChI=1S/C7H13BrN2O2/c1-3-7(8,4-2)5(11)10-6(9)12/h3-4H2,1-2H3,(H3,9,10,11,12)
CH$LINK: INCHIKEY OPNPQXLQERQBBV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8020252

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$SPLASH: splash10-000i-0190000000-190bd9e60aa98236b477
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  113 7 70
  157 19 190
  159 10 100
  175 4 40
  194 2 20
  237 99.99 999
  238 9 90
  239 98 980
  240 9 90
//