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MassBank Record: WA001596

Carbimazole; LC-ESI-Q; MS; POS; 75 V

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

ACCESSION: WA001596
RECORD_TITLE: Carbimazole; LC-ESI-Q; MS; POS; 75 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 75 V

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

PK$SPLASH: splash10-001i-9500000000-10076e53553ed09e0e04
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  76 39 39
  79 24 24
  81 999 999
  82 447 447
  83 670 670
  84 31 31
  86 219 219
  88 768 768
  89 24 24
  90 35 35
  95 51 51
  96 8 8
  97 35 35
  98 16 16
  99 51 51
  100 517 517
  101 16 16
  102 20 20
  109 16 16
  111 8 8
  113 235 235
  114 157 157
  115 975 975
  116 47 47
  117 35 35
  127 20 20
  128 8 8
  143 12 12
  177 12 12
  195 12 12
  218 8 8
//

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