MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003966

1,3-DIMETHOXYBUTANE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003966
RECORD_TITLE: 1,3-DIMETHOXYBUTANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

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CH$NAME: 1,3-DIMETHOXYBUTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₄O₂
CH$EXACT_MASS: 118.09938
CH$SMILES: COCCC(C)OC
CH$IUPAC: InChI=1S/C6H14O2/c1-6(8-3)4-5-7-2/h6H,4-5H2,1-3H3
CH$LINK: INCHIKEY JCRQEORWPZVZJP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50906189

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AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0a4j-9000000000-c79476789628ed0932d5
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  39 7.9 79
  41 18.4 184
  42 5.5 55
  43 1.68 17
  45 99.95 1000
  46 3 30
  51 0.9 9
  53 0.25 3
  54 2 20
  55 11.4 114
  56 5.4 54
  57 0.28 3
  58 7.5 75
  59 99.99 999
  60 4.8 48
  61 0.06 1
  64 1.1 11
  69 0.6 6
  71 35.5 355
  72 0.23 2
  73 3.8 38
  75 2.2 22
  85 2.8 28
  86 4.05 41
  87 3.9 39
  88 3 30
  103 4.6 46
//