MassBank Record: MSBNK-Waters-WA001992
ACCESSION: MSBNK-Waters-WA001992
RECORD_TITLE: Minaprine,-lactame; 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$NAME: Minaprine,-lactame
CH$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 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-004i-0920000000-4af91a61305aaa9bc6eb
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
100 141 141
104 12 12
109 20 20
115 12 12
118 51 51
119 12 12
128 999 999
129 59 59
142 63 63
143 24 24
144 12 12
169 102 102
170 20 20
171 16 16
183 12 12
185 27 27
186 161 161
187 16 16
196 20 20
198 12 12
210 16 16
212 302 302
213 27 27
224 20 20
295 35 35
313 16 16
//