ACCESSION: MSBNK-EPA-ENTACT_AGILENT000011
RECORD_TITLE: 2,5,8,11,14-Pentaoxahexadecan-16-ol; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2,5,8,11,14-Pentaoxahexadecan-16-ol
CH$NAME: DTXSID8041371
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₄O₆
CH$EXACT_MASS: 252.1572884994
CH$SMILES: COCCOCCOCCOCCOCCO
CH$IUPAC: InChI=1S/C11H24O6/c1-13-4-5-15-8-9-17-11-10-16-7-6-14-3-2-12/h12H,2-11H2,1H3
CH$LINK: CAS 23778-52-1
CH$LINK: INCHIKEY SLNYBUIEAMRFSZ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:90255

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$FOCUSED_ION: PRECURSOR_M/Z 253.1645649511
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-052b-9000000000-18b428ecffc3faf1b332
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  29.038577 1.226867 12
  31.017841 6.342872 63
  43.017841 1.630659 16
  45.033491 100.000004 999
  45.069877 1.554826 15
  59.049141 61.400605 613
  89.059706 1.564168 15
  103.075356 1.359878 13
//