ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008852
RECORD_TITLE: 3-METHYL-1,5-PENTANEDIOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: 3-METHYL-1,5-PENTANEDIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H14O2
CH$EXACT_MASS: 118.09938
CH$SMILES: OCCC(C)CCO
CH$IUPAC: InChI=1S/C6H14O2/c1-6(2-4-7)3-5-8/h6-8H,2-5H2,1H3
CH$LINK: INCHIKEY SXFJDZNJHVPHPH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1063483
AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-05mo-9000000000-f69f7bc748cd2950ac3b
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  15 3.9 39
  18 18.19 182
  19 4.16 42
  27 25.97 260
  29 40.26 403
  30 3.9 39
  31 61.04 610
  39 22.08 221
  40 4.16 42
  41 89.61 896
  42 63.64 636
  43 74.03 740
  44 20.78 208
  45 18.19 182
  53 7.79 78
  54 11.04 110
  55 99.99 999
  56 48.05 481
  57 50.65 507
  58 10.39 104
  67 81.82 818
  68 7.79 78
  69 46.75 468
  70 65.58 656
  71 39.61 396
  72 6.49 65
  77 4.68 47
  81 9.09 91
  82 28.57 286
  83 8.44 84
  85 5.32 53
  87 5.19 52
  88 3.77 38
  101 4.94 49
//
