ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006083
RECORD_TITLE: 3-METHYLPENTANE-1,3,5-TRIOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: 3-METHYLPENTANE-1,3,5-TRIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H14O3
CH$EXACT_MASS: 134.09429
CH$SMILES: OCCC(C)(O)CCO
CH$IUPAC: InChI=1S/C6H14O3/c1-6(9,2-4-7)3-5-8/h7-9H,2-5H2,1H3
CH$LINK: INCHIKEY AHHQDHCTHYTBSV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1064742
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-000i-9000000000-5ec535edd3507a0e5e61
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  41 1.89 19
  43 25.49 255
  45 1.4 14
  55 2.28 23
  56 1.52 15
  59 2.12 21
  61 5.33 53
  67 1.51 15
  68 2.5 25
  69 2.96 30
  70 3.02 30
  71 37.19 372
  72 1.96 20
  73 10.67 107
  81 1.25 13
  83 5.08 51
  89 99.99 999
  90 4.43 44
  98 1.3 13
  99 1.71 17
  101 7.25 73
  119 4.38 44
  134 0.49 5
//
