ACCESSION: MSBNK-Waters-WA000884
RECORD_TITLE: N-Despropylpropafenone; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: N-Despropylpropafenone
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₁NO₃
CH$EXACT_MASS: 299.15214
CH$SMILES: NCC(O)COc(c2)c(ccc2)C(=O)CCc(c1)cccc1
CH$IUPAC: InChI=1S/C18H21NO3/c19-12-15(20)13-22-18-9-5-4-8-16(18)17(21)11-10-14-6-2-1-3-7-14/h1-9,15,20H,10-13,19H2
CH$LINK: CAS 86383-21-3
CH$LINK: INCHIKEY HIGKMVIPYOFHBP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID001006774

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 13.500 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 45 V

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

PK$SPLASH: splash10-0zgi-0966000000-53d6456de2866c1c3f34
PK$NUM_PEAK: 53
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  106 39 39
  107 157 157
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  117 184 184
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//