MassBank Record: MSBNK-Waters-WA000657
ACCESSION: MSBNK-Waters-WA000657
RECORD_TITLE: Primidone; LC-ESI-Q; MS; POS; 30 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 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-02t9-0980000000-0bb3c8c6edff743eb28e
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
100 24 24
104 27 27
105 12 12
106 24 24
109 8 8
119 94 94
128 12 12
134 12 12
141 12 12
150 20 20
152 12 12
155 24 24
162 725 725
163 43 43
172 12 12
173 12 12
174 98 98
177 16 16
184 8 8
185 8 8
190 51 51
191 12 12
208 16 16
211 8 8
219 999 999
220 110 110
236 27 27
237 8 8
257 24 24
260 20 20
//