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MassBank Record: MSBNK-EPA-ENTACT_AGILENT002062

beta-Butyrolactone; ESI-QTOF; MS2; CE: 10; [M-H]-

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

ACCESSION: MSBNK-EPA-ENTACT_AGILENT002062
RECORD_TITLE: beta-Butyrolactone; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: beta-Butyrolactone
CH$NAME: DTXSID1020223
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H6O2
CH$EXACT_MASS: 86.036779436
CH$SMILES: CC1CC(=O)O1
CH$IUPAC: InChI=1S/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3
CH$LINK: CAS 3068-88-0
CH$LINK: INCHIKEY GSCLMSFRWBPUSK-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:18303

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

MS$FOCUSED_ION: PRECURSOR_M/Z 85.0295029843
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-014i-9000000000-6bd20281108833dc426e
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  41.003288 1.914566 19
  65.003288 100 999
  85.029503 2.163795 21
//

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