MassBank Record: MSBNK-Waters-WA001993
ACCESSION: MSBNK-Waters-WA001993
RECORD_TITLE: Minaprine,-lactame; 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$NAME: Minaprine,-lactame
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H20N4O2
CH$EXACT_MASS: 312.15863
CH$SMILES: O=C(CNc(n3)c(C)cc(n3)c(c2)cccc2)N(C1)CCOC1
CH$IUPAC: InChI=1S/C17H20N4O2/c1-13-11-15(14-5-3-2-4-6-14)19-20-17(13)18-12-16(22)21-7-9-23-10-8-21/h2-6,11H,7-10,12H2,1H3,(H,18,20)
CH$LINK: INCHIKEY
SGOJRGZBIVIGIS-UHFFFAOYSA-N
AC$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$CHROMATOGRAPHY: RETENTION_TIME 11.830 min
AC$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: splash10-004i-0920000000-469c7bd3fadd5619d926
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
100 94 94
128 999 999
129 55 55
169 20 20
186 114 114
187 12 12
212 235 235
213 27 27
224 16 16
295 98 98
296 16 16
313 27 27
//