ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008725
RECORD_TITLE: GAMMA-VALEROLACTONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: GAMMA-VALEROLACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₈O₂
CH$EXACT_MASS: 100.05243
CH$SMILES: CC(C1)OC(=O)C1
CH$IUPAC: InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3
CH$LINK: INCHIKEY GAEKPEKOJKCEMS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0047618

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-056u-9000000000-7c79f68cacbc95c0ea48
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  14 3.65 37
  15 8.93 89
  25 1.34 13
  26 14.18 142
  27 34.19 342
  28 67.66 677
  29 48.12 481
  30 1.4 14
  31 1.65 17
  37 1.73 17
  38 3.54 35
  39 16.8 168
  40 4.37 44
  41 65.15 652
  42 8.8 88
  43 38.21 382
  44 4.44 44
  45 4.5 45
  50 2.74 27
  51 3.06 31
  53 3.17 32
  54 2.06 21
  55 9.84 98
  56 99.99 999
  57 11.34 113
  71 1.83 18
  85 57.58 576
  86 1.58 16
  99 3.41 34
  100 7.08 71
//