ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008733
RECORD_TITLE: DELTA-HEXALACTONE; 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$NAME: DELTA-HEXALACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀O₂
CH$EXACT_MASS: 114.06808
CH$SMILES: CC(C1)OC(=O)CC1
CH$IUPAC: InChI=1S/C6H10O2/c1-5-3-2-4-6(7)8-5/h5H,2-4H2,1H3
CH$LINK: INCHIKEY RZTOWFMDBDPERY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30862431

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$SPLASH: splash10-0006-9000000000-ec974c9bdaa10e2a4003
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  15 3.31 33
  26 2.55 26
  27 12.48 125
  28 2.72 27
  29 6.16 62
  39 13.41 134
  40 4.7 47
  41 19.82 198
  42 99.99 999
  43 22.94 229
  44 1.69 17
  53 2.33 23
  55 19.39 194
  70 51.07 511
  71 12.36 124
  85 1.61 16
  99 4.96 50
  114 5.44 54
//