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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003981

BETA-BUTYROLACTONE; EI-B; MS

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

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
//

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