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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009790

6-(3-METHYL)BUTOXYTETRAHYDRO-2H-PYRAN; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009790
RECORD_TITLE: 6-(3-METHYL)BUTOXYTETRAHYDRO-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$NAME: 6-(3-METHYL)BUTOXYTETRAHYDRO-2H-PYRAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20O2
CH$EXACT_MASS: 172.14633
CH$SMILES: CC(C)CCOC(C1)OCCC1
CH$IUPAC: InChI=1S/C10H20O2/c1-9(2)6-8-12-10-5-3-4-7-11-10/h9-10H,3-8H2,1-2H3
CH$LINK: INCHIKEY DHDKLGMTNBVEIS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70477644

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$SPLASH: splash10-000l-9000000000-9ce435bebfd9d4197655
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  26 4.6 46
  27 20 200
  28 14.2 142
  29 2.55 26
  31 7.4 74
  39 14.5 145
  40 3.5 35
  41 4.09 41
  42 8.9 89
  43 63.6 636
  44 4.9 49
  45 0.23 2
  53 3.5 35
  54 2.5 25
  55 26.3 263
  56 2.37 24
  57 15.6 156
  67 8.8 88
  69 1.8 18
  70 1.29 13
  71 49.6 496
  72 2.7 27
  74 2 20
  83 0.3 3
  84 3.6 36
  85 99.99 999
  86 6.5 65
  101 0.38 4
  114 1.6 16
  115 3.5 35
  171 4 40
  172 1.3 13
//

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