ACCESSION: MSBNK-Waters-WA002636
RECORD_TITLE: Lenacil; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Lenacil
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₈N₂O₂
CH$EXACT_MASS: 234.13683
CH$SMILES: C(C3)CCC(C3)N(C(=O)1)C(=O)C(C2)=C(CC2)N1
CH$IUPAC: InChI=1S/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)
CH$LINK: CAS 2164-08-1
CH$LINK: INCHIKEY ZTMKADLOSYKWCA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9042093

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 15.650 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

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

PK$SPLASH: splash10-0udr-0900000000-2b400796f72b06b42d76
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  100 125 125
  101 12 12
  107 16 16
  108 24 24
  109 24 24
  110 376 376
  111 24 24
  123 12 12
  124 16 16
  125 16 16
  127 12 12
  130 20 20
  135 349 349
  136 639 639
  137 51 51
  142 67 67
  153 999 999
  154 86 86
  186 16 16
  194 16 16
//