ACCESSION: MSBNK-Waters-WA001600
RECORD_TITLE: Carbimazole; LC-ESI-Q; MS; POS; 15 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Carbimazole
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₀N₂O₂S
CH$EXACT_MASS: 186.04630
CH$SMILES: CCOC(=O)N(C=1)C(=S)N(C)C1
CH$IUPAC: InChI=1S/C7H10N2O2S/c1-3-11-7(10)9-5-4-8(2)6(9)12/h4-5H,3H2,1-2H3
CH$LINK: CAS 22232-54-8
CH$LINK: INCHIKEY CFOYWRHIYXMDOT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9022736

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 11.590 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 15 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-000i-0900000000-1208935f906637bef60d
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  83 16 16
  115 106 106
  117 8 8
  127 8 8
  143 43 43
  155 59 59
  159 20 20
  171 47 47
  187 999 999
  188 78 78
  189 59 59
  203 8 8
  209 24 24
  225 39 39
//