ACCESSION: MSBNK-EPA-ENTACT_AGILENT001492
RECORD_TITLE: Bis[2-(2-butoxyethoxy)ethyl] adipate; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-0a4r-9200000000-80f3e5b4ea5e9ae0c53e
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  44.998203 1.495918 14
  53.039674 1.359425 13
  57.034588 2.479453 24
  59.013853 100.000001 999
  59.050238 1.417429 14
  69.034588 3.534836 35
  71.013853 7.76685 77
  79.018938 1.664367 16
  81.034588 1.194518 11
  85.029503 77.492872 774
  85.065888 1.871538 18
  87.045153 1.116917 11
  89.024418 1.6696 16
  97.029503 24.271247 242
  98.037328 1.491093 14
  101.024418 1.462676 14
  109.029503 1.838954 18
  115.018938 1.563645 15
  115.040068 11.982974 119
  127.040068 1.299298 12
  133.050632 1.311365 13
  133.065888 20.203544 201
  145.050632 11.034102 110
  189.092103 2.043346 20
  219.102668 2.156414 21
  279.123797 4.684941 46
//