ACCESSION: MSBNK-Waters-WA000883
RECORD_TITLE: N-Despropylpropafenone; LC-ESI-Q; MS; POS; 60 V, 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: N-Despropylpropafenone
CH$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 60 V, 75 V

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

PK$SPLASH: splash10-0a4i-0902000000-7c6a90ddfb09641e4fb6
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  100 110 110
  103 35 35
  105 999 999
  106 71 71
  107 141 141
  108 12 12
  115 200 200
  117 106 106
  118 16 16
  119 27 27
  121 153 153
  123 12 12
  126 8 8
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  130 8 8
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//