MassBank Record: MSBNK-Waters-WA002635
ACCESSION: MSBNK-Waters-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
//