MassBank Record: MSBNK-EPA-ENTACT_AGILENT000013

Triethylene glycol dibenzoate; ESI-QTOF; MS2; CE: 20; [M+H]+

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT000013
RECORD_TITLE: Triethylene glycol dibenzoate; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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CH$NAME: Triethylene glycol dibenzoate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₂₂O₆
CH$EXACT_MASS: 358.1416384356
CH$SMILES: O=C(OCCOCCOCCOC(=O)C1C=CC=CC=1)C1C=CC=CC=1
CH$IUPAC: InChI=1S/C20H22O6/c21-19(17-7-3-1-4-8-17)25-15-13-23-11-12-24-14-16-26-20(22)18-9-5-2-6-10-18/h1-10H,11-16H2
CH$LINK: CAS 120-56-9
CH$LINK: INCHIKEY AHSGHEXYEABOKT-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:67123

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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 20

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MS$FOCUSED_ION: PRECURSOR_M/Z 359.1489148873
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

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PK$SPLASH: splash10-0002-0900000000-c1ca4a8321e2385fb406
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  77.038577 1.765797 17
  105.033491 14.112223 140
  149.059706 100.000001 999
//