ACCESSION: MSBNK-EPA-ENTACT_AGILENT000803
RECORD_TITLE: Butane-1,4-diyl bis(2-methylprop-2-enoate); ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-0a4i-9100000000-fca1a37d52c53174ab4b
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  41.038577 13.545679 135
  43.017841 1.399117 13
  55.054227 99.999999 999
  55.075356 2.116531 21
  59.049141 1.686326 16
  69.033491 34.948656 349
  79.017841 1.746767 17
  87.044056 25.451856 254
  141.091006 21.24867 212
//