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MassBank Record: MSBNK-EPA-ENTACT_AGILENT000208

2,2',2'',2'''-(1,2-Ethanediyldinitrilo)tetrakisethanol; 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_AGILENT000208
RECORD_TITLE: 2,2',2'',2'''-(1,2-Ethanediyldinitrilo)tetrakisethanol; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2,2',2'',2'''-(1,2-Ethanediyldinitrilo)tetrakisethanol
CH$NAME: DTXSID2041917
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H24N2O4
CH$EXACT_MASS: 236.1736072696
CH$SMILES: OCCN(CCO)CCN(CCO)CCO
CH$IUPAC: InChI=1S/C10H24N2O4/c13-7-3-11(4-8-14)1-2-12(5-9-15)6-10-16/h13-16H,1-10H2
CH$LINK: CAS 140-07-8
CH$LINK: INCHIKEY BYACHAOCSIPLCM-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:67322

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$FOCUSED_ION: PRECURSOR_M/Z 237.1808837213
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-001i-1900000000-f35f435fc6ae13f1314f
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  45.033491 1.523385 15
  70.065126 5.656251 56
  88.07569 5.424186 54
  114.09134 6.766401 67
  132.101905 99.999997 999
//

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Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under the National Research Data Infrastructure – NFDI4Chem – Projektnummer 441958208.

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