ACCESSION: MSBNK-EPA-ENTACT_AGILENT000371
RECORD_TITLE: Dibutyl nonanedioate; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-00fr-0940000000-5abe9222fb41a63ad586
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  55.054227 1.791358 17
  57.069877 1.083758 10
  83.085527 2.691446 26
  97.101177 8.086573 80
  107.085527 5.225616 52
  125.096091 19.854148 198
  135.080441 4.793175 47
  143.106656 7.111798 71
  153.091006 12.390953 123
  171.101571 99.999996 999
  171.174342 1.021982 10
  227.164171 74.111947 740
  301.237336 7.698554 76
//