MassBank Record: MSBNK-EPA-ENTACT_AGILENT000804

Butane-1,4-diyl bis(2-methylprop-2-enoate); ESI-QTOF; MS2; CE: 10; [M+H]+

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT000804
RECORD_TITLE: Butane-1,4-diyl bis(2-methylprop-2-enoate); ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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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

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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 10

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

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PK$SPLASH: splash10-0006-7900000000-a5c27394f7a18f7c0eae
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  41.038577 1.611689 16
  55.054227 39.803453 397
  69.033491 21.094384 210
  79.017841 3.586311 35
  87.044056 15.796587 157
  141.091006 100.000003 999
//