ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009897
RECORD_TITLE: 4-METHYL-2-(5-HYDROXY-3-METHYLPENTOXY)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$NAME: 4-METHYL-2-(5-HYDROXY-3-METHYLPENTOXY)TETRAHYDRO-2H-PYRAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₄O₃
CH$EXACT_MASS: 216.17254
CH$SMILES: OCCC(C)CCOC(O1)CC(C)CC1
CH$IUPAC: InChI=1S/C12H24O3/c1-10(3-6-13)4-7-14-12-9-11(2)5-8-15-12/h10-13H,3-9H2,1-2H3
CH$LINK: INCHIKEY SKVDDTWHWFDGBM-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:57660269

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$SPLASH: splash10-0002-9100000000-9791507d3e3b22990865
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  27 3.8 38
  28 6.5 65
  29 5 50
  31 7.6 76
  32 2.7 27
  39 2.8 28
  40 2.5 25
  41 14 140
  42 12.6 126
  43 22.3 223
  44 1.8 18
  45 4 40
  55 36 360
  56 3 30
  57 7.2 72
  67 2.5 25
  69 7.7 77
  70 9.6 96
  71 5.5 55
  73 1.3 13
  81 7.7 77
  83 33 330
  98 8 80
  99 99.99 999
  100 7.2 72
  101 23.2 232
  102 2.3 23
  116 10.5 105
  117 3.8 38
  133 1.3 13
//