ACCESSION: MSBNK-EPA-ENTACT_AGILENT002061
RECORD_TITLE: beta-Butyrolactone; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-014i-9000000000-b5e61fd6e67f32017dba
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
65.003288 100 999
//