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MassBank Record: MSBNK-EPA-ENTACT_AGILENT000949

2-[2-(2-Ethoxyethoxy)ethoxy]ethanol; ESI-QTOF; MS2; CE: 20; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-EPA-ENTACT_AGILENT000949
RECORD_TITLE: 2-[2-(2-Ethoxyethoxy)ethoxy]ethanol; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2-[2-(2-Ethoxyethoxy)ethoxy]ethanol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H18O4
CH$EXACT_MASS: 178.1205090634
CH$SMILES: CCOCCOCCOCCO
CH$IUPAC: InChI=1S/C8H18O4/c1-2-10-5-6-12-8-7-11-4-3-9/h9H,2-8H2,1H3
CH$LINK: CAS 112-50-5
CH$LINK: INCHIKEY WFSMVVDJSNMRAR-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8190

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$FOCUSED_ION: PRECURSOR_M/Z 179.1277855151
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0002-9100000000-44ca2bcc12d8338bbfec
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  45.033491 99.999999 999
  45.069877 1.329085 13
  73.064791 13.363966 133
  89.059706 3.927269 39
  101.002191 14.421105 144
//

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