ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009892
RECORD_TITLE: 4-METHYL-2-(4-METHYL-6-OXO-1-OXAHEXYL)TETRAHYDRO-2H-PYRAN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: 4-METHYL-2-(4-METHYL-6-OXO-1-OXAHEXYL)TETRAHYDRO-2H-PYRAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₂O₃
CH$EXACT_MASS: 214.15689
CH$SMILES: O=CCC(C)CCOC(O1)CC(C)CC1
CH$IUPAC: InChI=1S/C12H22O3/c1-10(3-6-13)4-7-14-12-9-11(2)5-8-15-12/h6,10-12H,3-5,7-9H2,1-2H3
CH$LINK: CAS 101153-83-7
CH$LINK: INCHIKEY NYNVUDUNNAUQKW-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-0002-9000000000-e2c4ca7d928ac5bb162f
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  27 2.5 25
  28 1.5 15
  29 4 40
  31 2.5 25
  39 1.5 15
  41 10.6 106
  42 3.7 37
  43 23 230
  44 1.2 12
  45 2.8 28
  53 1.5 15
  55 14 140
  56 1.5 15
  57 6.3 63
  58 1 10
  59 3.2 32
  67 1.8 18
  69 9.3 93
  70 7.2 72
  81 9.8 98
  82 1 10
  83 3.3 33
  84 4.7 47
  98 3.3 33
  99 99.99 999
  100 8.2 82
  101 1.5 15
//