ACCESSION: MSBNK-EPA-ENTACT_AGILENT000012
RECORD_TITLE: 2,5,8,11,14-Pentaoxahexadecan-16-ol; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-0pbj-9600000000-285a3f914096946c9748
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  31.017841 1.589863 15
  45.033491 57.978977 579
  59.049141 100.000003 999
  59.085527 1.518661 15
  87.044056 1.133655 11
  89.059706 81.497138 814
  89.096091 1.978102 19
  103.075356 96.202516 961
  133.085921 49.482738 494
  147.101571 25.734646 257
  177.112135 8.5787 85
//