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MassBank Record: WA001993

Minaprine,-lactame; LC-ESI-Q; MS; POS; 75 V

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

ACCESSION: 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
//

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