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MassBank Record: WA001594

Carbutamide; LC-ESI-Q; MS; POS; 15 V

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

ACCESSION: WA001594
RECORD_TITLE: Carbutamide; LC-ESI-Q; MS; POS; 15 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Carbutamide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H17N3O3S
CH$EXACT_MASS: 271.09906
CH$SMILES: CCCCNC(=O)NS(=O)(=O)c(c1)ccc(N)c1
CH$IUPAC: InChI=1S/C11H17N3O3S/c1-2-3-8-13-11(15)14-18(16,17)10-6-4-9(12)5-7-10/h4-7H,2-3,8,12H2,1H3,(H2,13,14,15)
CH$LINK: CAS 339-43-5
CH$LINK: INCHIKEY VDTNNGKXZGSZIP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8022741

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 13.800 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 15 V

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

PK$SPLASH: splash10-00di-0490000000-d3884c3c6fc0d4726c47
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  113 31 31
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  118 16 16
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  149 20 20
  156 8 8
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  273 121 121
  274 51 51
  289 16 16
  294 82 82
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  310 86 86
  311 12 12
  312 12 12
//

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