MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005855

TRIMETHYLENE GLYCOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005855
RECORD_TITLE: TRIMETHYLENE GLYCOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: TRIMETHYLENE GLYCOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₈O₂
CH$EXACT_MASS: 76.05243
CH$SMILES: OCCCO
CH$IUPAC: InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2
CH$LINK: INCHIKEY YPFDHNVEDLHUCE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8041246

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AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-057i-9000000000-32874f2605e2fa74ff9d
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  14 1.74 17
  15 5.72 57
  26 5.72 57
  27 24.63 246
  28 99.99 999
  29 22.89 229
  30 15.92 159
  31 64.68 647
  39 3.23 32
  40 3.48 35
  41 3.23 32
  42 2.74 27
  43 12.69 127
  44 2.74 27
  45 16.17 162
  46 10.45 105
  47 2.99 30
  49 1 10
  56 1.74 17
  57 1.24 12
  58 45.03 450
  59 75.37 754
  60 3.73 37
  75 1 10
  76 0.5 5
//