ACCESSION: MSBNK-Waters-WA001327
RECORD_TITLE: Carbetamide; LC-ESI-Q; MS; POS; 30 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 14.800 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 30 V

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

PK$SPLASH: splash10-00xr-0900000000-f51c0497db34a6b1e53c
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  100 184 184
  118 850 850
  119 27 27
  120 999 999
  121 59 59
  138 12 12
  141 20 20
  144 35 35
  164 102 102
  165 12 12
  192 349 349
  193 39 39
  237 43 43
  259 98 98
  260 12 12
  275 8 8
  300 8 8
//