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MassBank Record: WA001328

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

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

ACCESSION: WA001328
RECORD_TITLE: Carbetamide; 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$NAME: Carbetamide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H16N2O3
CH$EXACT_MASS: 236.11609
CH$SMILES: CCNC(=O)C([H])(C)OC(=O)Nc(c1)cccc1
CH$IUPAC: InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)/t9-/m1/s1
CH$LINK: CAS 16118-49-3
CH$LINK: INCHIKEY AMRQXHFXNZFDCH-SECBINFHSA-N

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 15.800 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$SPLASH: splash10-000l-0490000000-98bd5be7e2baf7e1a96f
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  118 51 51
  144 16 16
  164 12 12
  192 631 631
  193 78 78
  194 8 8
  237 999 999
  238 137 137
  239 24 24
  254 16 16
  259 200 200
  260 39 39
  275 67 67
  276 8 8
  277 8 8
  282 8 8
  300 31 31
  302 8 8
//

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