ACCESSION: MSBNK-EPA-ENTACT_AGILENT001494
RECORD_TITLE: Bis[2-(2-butoxyethoxy)ethyl] adipate; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Bis[2-(2-butoxyethoxy)ethyl] adipate
CH$NAME: DTXSID3027085
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₄₂O₈
CH$EXACT_MASS: 434.2879683182
CH$SMILES: CCCCOCCOCCOC(=O)CCCCC(=O)OCCOCCOCCCC
CH$IUPAC: InChI=1S/C22H42O8/c1-3-5-11-25-13-15-27-17-19-29-21(23)9-7-8-10-22(24)30-20-18-28-16-14-26-12-6-4-2/h3-20H2,1-2H3
CH$LINK: CAS 141-17-3
CH$LINK: INCHIKEY SCABKEBYDRTODC-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8836

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

MS$FOCUSED_ION: PRECURSOR_M/Z 433.2806918665
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0571-9770000000-c52553fa5ede4e5377f5
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  59.013853 52.06777 520
  71.013853 3.136193 31
  85.029503 55.206307 551
  85.065888 1.191465 11
  87.045153 3.026704 30
  89.024418 1.285217 12
  97.029503 20.984538 209
  101.024418 1.317063 13
  109.029503 1.048316 10
  115.040068 33.520058 334
  127.040068 6.649037 66
  133.065888 18.325148 183
  145.050632 51.041415 509
  189.092103 2.687037 26
  219.102668 8.831798 88
  249.113233 1.012743 10
  279.123797 99.999997 999
  280.125749 3.335189 33
//