MassBank Record: MSBNK-EPA-ENTACT_AGILENT002455

Triethylene glycol diacetate; ESI-QTOF; MS2; CE: 40; [M+H]+

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT002455
RECORD_TITLE: Triethylene glycol diacetate; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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CH$NAME: Triethylene glycol diacetate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O₆
CH$EXACT_MASS: 234.110338308
CH$SMILES: CC(=O)OCCOCCOCCOC(C)=O
CH$IUPAC: InChI=1S/C10H18O6/c1-9(11)15-7-5-13-3-4-14-6-8-16-10(2)12/h3-8H2,1-2H3
CH$LINK: CAS 111-21-7
CH$LINK: INCHIKEY OVOUKWFJRHALDD-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8098

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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 40

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MS$FOCUSED_ION: PRECURSOR_M/Z 235.1176147597
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

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PK$SPLASH: splash10-000f-9000000000-1859ef9a3de32ad5b7de
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  43.017841 100.000003 999
  87.044056 55.704061 556
//