MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001809

4-BUTANOLIDE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001809
RECORD_TITLE: 4-BUTANOLIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

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CH$NAME: 4-BUTANOLIDE
CH$NAME: GAMMA-BUTYROLACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₆O₂
CH$EXACT_MASS: 86.03678
CH$SMILES: O=C(C1)OCC1
CH$IUPAC: InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2
CH$LINK: INCHIKEY YEJRWHAVMIAJKC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6020224

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AC$INSTRUMENT: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-004l-9000000000-500445dc73cb69119e6b
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  14 2.72 27
  15 2.65 27
  18 2.87 29
  25 1.29 13
  26 11.25 113
  27 29.37 294
  28 99.99 999
  29 44.56 446
  30 2.15 22
  31 2.72 27
  37 1.93 19
  38 2.72 27
  39 8.74 87
  40 7.81 78
  41 32.09 321
  42 92.26 923
  43 5.66 57
  44 1.15 12
  55 7.95 80
  56 31.38 314
  57 6.45 65
  85 11.39 114
  86 36.6 366
  87 5.16 52
//