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MassBank Record: WA002635

Lenacil; LC-ESI-Q; MS; POS; 75 V

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

ACCESSION: WA002635
RECORD_TITLE: Lenacil; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Lenacil
CH$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 75 V

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

PK$SPLASH: splash10-000i-0900000000-8984bcdcd0e381d23aaa
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  100 200 200
  101 20 20
  105 24 24
  106 43 43
  107 39 39
  108 63 63
  109 39 39
  110 568 568
  111 31 31
  123 12 12
  125 16 16
  127 20 20
  135 533 533
  136 999 999
  137 67 67
  142 27 27
  153 341 341
  154 27 27
//

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