MassBank MassBank Search Contents Download

MassBank Record: MSBNK-Waters-WA001592

Carbutamide; LC-ESI-Q; MS; POS; 45 V

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

ACCESSION: MSBNK-Waters-WA001592
RECORD_TITLE: Carbutamide; 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$NAME: Carbutamide
CH$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 45 V

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

PK$SPLASH: splash10-0a4i-0910000000-ae3c52f0070c6c8b627b
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  104 12 12
  108 999 999
  109 51 51
  115 16 16
  117 47 47
  122 59 59
  124 24 24
  133 20 20
  140 43 43
  155 8 8
  156 956 956
  157 59 59
  158 43 43
  159 8 8
  173 47 47
  174 8 8
  186 12 12
  187 8 8
  195 12 12
  204 12 12
  205 8 8
  221 27 27
  229 8 8
  272 125 125
  273 16 16
  274 8 8
  278 43 43
  294 141 141
  295 20 20
  296 8 8
  310 67 67
  311 12 12
  312 8 8
//

Imprint Feedback
system version 2.2
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
Responsible: Dr. Tobias Schulze
de.NBI logo
EAWAG logo
fnr logo
IPB logo
NORMAN logo
UFZ logo
LCSB logo
HBM4EU logo
nfdi4chem logo