ACCESSION: MSBNK-Waters-WA001591
RECORD_TITLE: Carbutamide; LC-ESI-Q; MS; POS; 60 V, 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Carbutamide
CH$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 60 V, 75 V

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

PK$SPLASH: splash10-0a4i-0911000000-872dd228ce60a7f83988
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  104 8 8
  106 24 24
  107 24 24
  108 999 999
  109 59 59
  110 20 20
  120 8 8
  122 102 102
  123 8 8
  129 8 8
  133 16 16
  156 51 51
  179 12 12
  195 8 8
  205 12 12
  211 12 12
  272 12 12
  278 16 16
  294 121 121
  295 16 16
  296 8 8
  310 157 157
  311 16 16
  312 24 24
  328 8 8
//