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MassBank Record: WA000100

Tralkoxydim (isomer2); LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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

ACCESSION: WA000100
RECORD_TITLE: Tralkoxydim (isomer2); LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Tralkoxydim (isomer2)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H27NO3
CH$EXACT_MASS: 329.19909
CH$SMILES: CCONC(CC)=C(C(=O)2)C(=O)CC(C2)c(c(C)1)c(C)cc(C)c1
CH$IUPAC: InChI=1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,21H,6-7,10-11H2,1-5H3/b20-16-
CH$LINK: CAS 87820-88-0
CH$LINK: INCHIKEY SOTLWPHEAQOHHC-SILNSSARSA-N

AC$INSTRUMENT: QuattroPremier XE, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 330.3
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-001i-0169000000-af40a15e17a0a48af7c9
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  96 8 8
  121 12 12
  136 8 8
  138 59 59
  140 27 27
  164 39 39
  166 20 20
  256 8 8
  267 8 8
  284 588 588
  286 125 125
  330 999 999
  331 55 55
//

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