MassBank Record: MSBNK-Waters-WA002636
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
//