ACCESSION: MSBNK-EPA-ENTACT_AGILENT002124
RECORD_TITLE: 2-Pentanone; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-0a4j-9000000000-1823280ec4689069b360
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  39.022927 8.639612 86
  41.038577 4.99802 49
  43.017841 43.073077 430
  45.033491 56.842367 567
  53.038577 9.710413 97
  55.054227 99.999999 999
  56.025666 1.55302 15
  57.033491 2.011341 20
  57.069877 1.853776 18
  59.049141 5.865833 58
  60.056966 1.168727 11
  87.080441 3.067186 30
//