MassBank Record: MSBNK-Waters-WA000656
ACCESSION: MSBNK-Waters-WA000656
RECORD_TITLE: Primidone; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Primidone
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H14N2O2
CH$EXACT_MASS: 218.10553
CH$SMILES: CCC(C(=O)2)(C(=O)NCN2)c(c1)cccc1
CH$IUPAC: InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)
CH$LINK: CAS
125-33-7
CH$LINK: INCHIKEY
DQMZLTXERSFNPB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7023510
AC$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$CHROMATOGRAPHY: RETENTION_TIME 11.800 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-02t9-0910000000-60a1c89c218c76fb381f
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
100 47 47
103 31 31
106 278 278
111 24 24
114 12 12
117 153 153
119 776 776
120 24 24
128 8 8
132 24 24
134 74 74
135 8 8
137 8 8
143 16 16
145 55 55
146 8 8
148 8 8
149 20 20
152 8 8
158 12 12
159 8 8
162 999 999
163 106 106
167 8 8
174 43 43
177 16 16
190 20 20
198 12 12
203 20 20
215 8 8
219 184 184
220 16 16
221 12 12
236 24 24
241 8 8
251 8 8
252 8 8
257 78 78
//