ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004576
RECORD_TITLE: TETRAHYDRO-2-PYRONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: TETRAHYDRO-2-PYRONE
CH$NAME: TETRAHYDROPYRAN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₈O₂
CH$EXACT_MASS: 100.05243
CH$SMILES: O=C(C1)OCCC1
CH$IUPAC: InChI=1S/C5H8O2/c6-5-3-1-2-4-7-5/h1-4H2
CH$LINK: CAS 542-28-9
CH$LINK: INCHIKEY OZJPLYNZGCXSJM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6044438

AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$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$SPLASH: splash10-0006-9100000000-5cbf9b97b1ef90d8f999
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  37 2.1 21
  38 3.5 35
  39 22 220
  41 8.28 83
  42 99.99 999
  43 8.8 88
  44 12.3 123
  45 0.58 6
  47 0.6 6
  48 1 10
  50 1.7 17
  51 0.17 2
  53 1.7 17
  54 1.3 13
  55 18.9 189
  56 6.95 70
  57 3.4 34
  68 0.8 8
  70 15.1 151
  71 0.32 3
  73 0.9 9
  75 0.8 8
  76 0.9 9
  81 0.07 1
  83 3.1 31
  85 1.9 19
  86 0.6 6
  99 0.07 1
  100 24.1 241
  101 1.4 14
//