MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009139

1,3-BUTANEDIOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009139
RECORD_TITLE: 1,3-BUTANEDIOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

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CH$NAME: 1,3-BUTANEDIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₁₀O₂
CH$EXACT_MASS: 90.06808
CH$SMILES: OCCC(C)O
CH$IUPAC: InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3
CH$LINK: INCHIKEY PUPZLCDOIYMWBV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8026773

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AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-002g-9000000000-3c919c2dc91ea11f9690
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  15 7.2 72
  19 20.71 207
  26 3.11 31
  27 23.27 233
  28 25.94 259
  29 26.87 269
  30 1.13 11
  31 30.49 305
  39 8.41 84
  40 1.56 16
  41 12.79 128
  42 14.35 144
  43 99.99 999
  44 21.83 218
  45 90.33 903
  46 5.21 52
  47 1.82 18
  55 4.82 48
  57 24.89 249
  71 1.86 19
  72 29.22 292
  73 1.66 17
  75 8.36 84
//