MassBank Record: MSBNK-Waters-WA002639
ACCESSION: MSBNK-Waters-WA002639
RECORD_TITLE: Lenacil; 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$NAME: Lenacil
CH$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 15 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-000i-0190000000-4e6c637f892d0a691bcd
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
141 12 12
153 137 137
158 12 12
181 12 12
193 12 12
235 999 999
236 133 133
237 12 12
242 71 71
243 12 12
244 12 12
//