ACCESSION: MSBNK-Waters-WA001595
RECORD_TITLE: Carbimazole; LC-ESI-Q; MS; POS; 90 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 90 V

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

PK$SPLASH: splash10-001i-9300000000-3af68a5fef688663737c
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  75 24 24
  78 12 12
  79 24 24
  81 999 999
  82 219 219
  83 325 325
  84 20 20
  86 235 235
  88 165 165
  91 16 16
  95 20 20
  96 8 8
  97 27 27
  98 8 8
  99 8 8
  100 286 286
  101 8 8
  102 8 8
  107 8 8
  109 8 8
  111 8 8
  113 145 145
  114 78 78
  115 114 114
  116 8 8
  127 12 12
  155 16 16
  163 20 20
  177 8 8
  201 8 8
  203 12 12
  205 8 8
//