MassBank Record: MSBNK-Waters-WA001596
ACCESSION: MSBNK-Waters-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
//