ACCESSION: MSBNK-Waters-WA000885
RECORD_TITLE: N-Despropylpropafenone; LC-ESI-Q; MS; POS; 30 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 30 V

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

PK$SPLASH: splash10-0udi-0049000000-8f06986f068b8769aae1
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  105 12 12
  107 12 12
  115 8 8
  129 8 8
  131 8 8
  133 16 16
  134 39 39
  148 20 20
  149 12 12
  161 8 8
  209 8 8
  227 20 20
  253 55 55
  254 8 8
  265 67 67
  266 12 12
  282 482 482
  283 90 90
  284 8 8
  300 999 999
  301 200 200
  302 27 27
  322 118 118
  323 24 24
  338 47 47
  339 8 8
//