MassBank Record: MSBNK-Waters-WA001598
ACCESSION: MSBNK-Waters-WA001598
RECORD_TITLE: Carbimazole; LC-ESI-Q; MS; POS; 45 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 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-014i-2900000000-94850038454b16a97c77
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
83 98 98
84 8 8
88 161 161
90 8 8
97 8 8
99 59 59
100 8 8
111 8 8
113 12 12
114 8 8
115 999 999
116 39 39
117 43 43
143 102 102
144 8 8
145 8 8
187 8 8
209 8 8
//
system version 2.2.6-SNAPSHOT