MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012073

3,3-DIETHOXY-1-PROPYNE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012073
RECORD_TITLE: 3,3-DIETHOXY-1-PROPYNE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SUMITA Y, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

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CH$NAME: 3,3-DIETHOXY-1-PROPYNE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₂O₂
CH$EXACT_MASS: 128.08373
CH$SMILES: CCOC(C#C)OCC
CH$IUPAC: InChI=1S/C7H12O2/c1-4-7(8-5-2)9-6-3/h1,7H,5-6H2,2-3H3
CH$LINK: INCHIKEY RGUXEWWHSQGVRZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60144050

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AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-053r-9000000000-8a46f24d3fea6e422bad
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  27 2.36 24
  28 1.83 18
  29 6.14 61
  31 1.67 17
  39 1.04 10
  45 2.63 26
  53 1.36 14
  55 60.01 600
  56 2.58 26
  69 1.67 17
  71 3 30
  83 99.99 999
  84 5.84 58
  99 1.3 13
  127 2.29 23
  128 0.16 2
//