MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003981
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003981
RECORD_TITLE: BETA-BUTYROLACTONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: BETA-BUTYROLACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H6O2
CH$EXACT_MASS: 86.03678
CH$SMILES: CC(C1)OC(=O)1
CH$IUPAC: InChI=1S/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3
CH$LINK: INCHIKEY
GSCLMSFRWBPUSK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1020223
AC$INSTRUMENT: HITACHI RMU-6L
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9000000000-c576708f6e6f49514f71
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
27 16.5 165
28 12.5 125
29 13.2 132
38 0.95 10
39 23.7 237
40 12.3 123
41 32.4 324
42 99.99 999
43 56.1 561
44 27.6 276
71 4.2 42
//