ACCESSION: MSBNK-EPA-ENTACT_AGILENT002123
RECORD_TITLE: 2-Pentanone; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2-Pentanone
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₀O
CH$EXACT_MASS: 86.0731649413
CH$SMILES: CCCC(C)=O
CH$IUPAC: InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3
CH$LINK: CAS 107-87-9
CH$LINK: INCHIKEY XNLICIUVMPYHGG-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7895

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$FOCUSED_ION: PRECURSOR_M/Z 87.080441393
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4r-9000000000-16df4129e6036b5bb025
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  39.022927 2.096305 20
  41.038577 2.371818 23
  43.017841 7.532013 75
  45.033491 27.83207 278
  53.038577 1.20461 12
  55.054227 100.000002 999
  57.033491 2.785037 27
  57.069877 1.150652 11
  59.049141 2.827706 28
  69.069877 2.303207 23
  87.080441 52.244248 521
//