MassBank MassBank Search Contents Download

MassBank Record: WA001597

Carbimazole; LC-ESI-Q; MS; POS; 60 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA001597
RECORD_TITLE: Carbimazole; LC-ESI-Q; MS; POS; 60 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 60 V

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

PK$SPLASH: splash10-014i-6900000000-f077e391de17c7854275
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  75 8 8
  76 16 16
  81 63 63
  82 63 63
  83 243 243
  84 16 16
  86 20 20
  88 443 443
  89 12 12
  90 20 20
  95 12 12
  97 20 20
  99 71 71
  100 82 82
  102 8 8
  109 12 12
  111 8 8
  113 39 39
  114 51 51
  115 999 999
  116 43 43
  117 47 47
  143 31 31
//

Imprint Feedback
system version 2.1.8
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
Responsible: Dr. Tobias Schulze