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MassBank Record: WA002058

Minaprine; LC-ESI-Q; MS; POS; 60 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA002058
RECORD_TITLE: Minaprine; LC-ESI-Q; MS; POS; 60 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 60 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-03di-0090000000-5149d138bce2aaae616b
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
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//

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