ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009825
RECORD_TITLE: 3,7-DIMETHYL-1,2,3-OCTANETRIOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 3,7-DIMETHYL-1,2,3-OCTANETRIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H22O3
CH$EXACT_MASS: 190.15689
CH$SMILES: CC(C)CCCC(C)(O)C(O)CO
CH$IUPAC: InChI=1S/C10H22O3/c1-8(2)5-4-6-10(3,13)9(12)7-11/h8-9,11-13H,4-7H2,1-3H3
CH$LINK: INCHIKEY AXSMBYNAYXIVCP-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-D-300
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: splash10-066u-9200000000-3794767c696da3105a7a
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  27 3.2 32
  29 4.9 49
  31 3.3 33
  39 0.36 4
  41 14.6 146
  42 1.4 14
  43 43.1 431
  44 0.79 8
  45 8.4 84
  53 1.4 14
  55 24 240
  56 0.26 3
  57 8.6 86
  58 11.8 118
  59 5.4 54
  61 0.69 7
  67 1.9 19
  69 99.99 999
  70 7.8 78
  71 1.09 11
  73 1.9 19
  75 1.5 15
  81 3.1 31
  83 0.35 4
  85 2.7 27
  87 7.3 73
  95 4.9 49
  97 0.22 2
  105 23.2 232
  106 1.3 13
  109 1.2 12
  110 0.13 1
  111 35.4 354
  112 3.2 32
  123 4.9 49
  129 3.33 33
  130 2.9 29
//
