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MassBank Record: WA001992

Minaprine,-lactame; LC-ESI-Q; MS; POS; 90 V

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

ACCESSION: 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
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  118 51 51
  119 12 12
  128 999 999
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  143 24 24
  144 12 12
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  170 20 20
  171 16 16
  183 12 12
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  196 20 20
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  212 302 302
  213 27 27
  224 20 20
  295 35 35
  313 16 16
//

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