MassBank MassBank Search Contents Download

MassBank Record: MSBNK-EPA-ENTACT_AGILENT002142

2,5,8,11,14-Pentaoxapentadecane; ESI-QTOF; MS2; CE: 40; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-EPA-ENTACT_AGILENT002142
RECORD_TITLE: 2,5,8,11,14-Pentaoxapentadecane; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2,5,8,11,14-Pentaoxapentadecane
CH$NAME: DTXSID7044396
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H22O5
CH$EXACT_MASS: 222.1467238133
CH$SMILES: COCCOCCOCCOCCOC
CH$IUPAC: InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3
CH$LINK: CAS 143-24-8
CH$LINK: INCHIKEY ZUHZGEOKBKGPSW-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8925

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$FOCUSED_ION: PRECURSOR_M/Z 223.154000265
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4i-9000000000-8a1af19a96f2021a0af3
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  29.038577 2.992035 29
  31.017841 15.364221 153
  41.038577 2.810543 28
  43.017841 5.420643 54
  45.033491 6.508153 65
  59.049141 99.999999 999
  59.085527 1.25436 12
//

system version 2.2.5
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
de.NBI logo
EAWAG logo
fnr logo
IPB logo
NORMAN logo
UFZ logo
LCSB logo
HBM4EU logo
nfdi4chem logo