MassBank Record: MSBNK-Waters-WA002634
ACCESSION: MSBNK-Waters-WA002634
RECORD_TITLE: Lenacil; LC-ESI-Q; MS; POS; 90 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 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-01p9-0900000000-a662c975f28cd96a8840
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
100 172 172
105 39 39
106 145 145
107 125 125
108 94 94
109 51 51
110 999 999
111 78 78
113 67 67
117 16 16
119 82 82
121 51 51
122 12 12
123 16 16
124 27 27
127 90 90
128 20 20
130 12 12
133 27 27
135 509 509
136 854 854
137 67 67
142 20 20
144 12 12
145 16 16
152 16 16
153 145 145
155 12 12
159 12 12
167 12 12
168 24 24
179 12 12
192 16 16
207 12 12
259 12 12
//