ACCESSION: MSBNK-EPA-ENTACT_AGILENT000802
RECORD_TITLE: Butane-1,4-diyl bis(2-methylprop-2-enoate); ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Butane-1,4-diyl bis(2-methylprop-2-enoate)
CH$NAME: DTXSID4044870
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₈O₄
CH$EXACT_MASS: 226.1205090634
CH$SMILES: CC(=C)C(=O)OCCCCOC(=O)C(C)=C
CH$IUPAC: InChI=1S/C12H18O4/c1-9(2)11(13)15-7-5-6-8-16-12(14)10(3)4/h1,3,5-8H2,2,4H3
CH$LINK: CAS 2082-81-7
CH$LINK: INCHIKEY XOJWAAUYNWGQAU-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:16387

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 227.1277855151
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-052f-9000000000-fbb98e2006c3f68b28d5
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  29.038577 1.851761 18
  39.022927 4.741748 47
  41.038577 100 999
  41.059706 1.119087 11
  45.033491 4.648789 46
  55.054227 57.266694 572
  57.033491 2.487545 24
  59.049141 20.326128 203
  63.994366 4.409793 44
  67.054227 2.07953 20
  69.033491 11.930079 119
  87.044056 1.554276 15
  91.054227 3.537717 35
  105.069877 3.730295 37
//