MassBank Record: MSBNK-Waters-WA002057
ACCESSION: MSBNK-Waters-WA002057
RECORD_TITLE: Minaprine; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Minaprine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H22N4O
CH$EXACT_MASS: 298.17936
CH$SMILES: O(C3)CCN(C3)CCNc(n2)c(C)cc(n2)c(c1)cccc1
CH$IUPAC: InChI=1S/C17H22N4O/c1-14-13-16(15-5-3-2-4-6-15)19-20-17(14)18-7-8-21-9-11-22-12-10-21/h2-6,13H,7-12H2,1H3,(H,18,20)
CH$LINK: CAS
25905-77-5
CH$LINK: INCHIKEY
LDMWSLGGVTVJPG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5048477
AC$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$CHROMATOGRAPHY: RETENTION_TIME 11.460 min
AC$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, 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-03di-0390000000-0921c305480b8caeaf83
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
109 27 27
114 78 78
118 20 20
119 12 12
142 63 63
169 78 78
170 12 12
183 12 12
184 12 12
185 47 47
186 20 20
212 999 999
213 141 141
//