ACCESSION: MSBNK-EPA-ENTACT_AGILENT000372
RECORD_TITLE: Dibutyl nonanedioate; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Dibutyl nonanedioate
CH$NAME: DTXSID5044815
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₃₂O₄
CH$EXACT_MASS: 300.23005951
CH$SMILES: CCCCOC(=O)CCCCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C17H32O4/c1-3-5-14-20-16(18)12-10-8-7-9-11-13-17(19)21-15-6-4-2/h3-15H2,1-2H3
CH$LINK: CAS 2917-73-9
CH$LINK: INCHIKEY RISLXYINQFKFRL-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:18016

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 40

MS$FOCUSED_ION: PRECURSOR_M/Z 301.2373359617
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4i-9000000000-b5b6f3576b8f00b9bb45
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  41.038577 8.4406 84
  43.017841 7.035058 70
  43.054227 1.100109 10
  45.033491 1.027405 10
  55.017841 9.325238 93
  55.054227 100.000001 999
  57.033491 1.553347 15
  57.069877 9.750215 97
  59.049141 1.514584 15
  67.054227 6.296858 62
  69.033491 2.345889 23
  69.069877 6.110018 61
  79.054227 12.237398 122
  81.069877 9.617492 96
  83.049141 2.446725 24
  83.085527 21.742431 217
  84.078096 1.066044 10
  91.054227 3.502673 34
  93.069877 2.503169 25
  97.101177 19.82192 198
  107.085527 5.424094 54
  125.096091 3.267222 32
//