ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009860
RECORD_TITLE: 3,7-DIMETHYL-1,2,3,7-OCTANETETRAOL; 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$NAME: 3,7-DIMETHYL-1,2,3,7-OCTANETETRAOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H22O4
CH$EXACT_MASS: 206.15181
CH$SMILES: OCC(O)C(C)(O)CCCC(C)(C)O
CH$IUPAC: InChI=1S/C10H22O4/c1-9(2,13)5-4-6-10(3,14)8(12)7-11/h8,11-14H,4-7H2,1-3H3
CH$LINK: INCHIKEY UWRGONHVPULUGX-UHFFFAOYSA-N
AC$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: splash10-0a4l-9200000000-69380db1f702f0bcc32c
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  27 5.1 51
  29 7.6 76
  31 10.9 109
  39 0.53 5
  41 24.2 242
  42 4.7 47
  43 99.99 999
  44 0.64 6
  45 5.7 57
  53 3.3 33
  55 18.8 188
  56 1.24 12
  57 10.5 105
  58 31 310
  59 79.1 791
  60 3.02 30
  61 3.1 31
  67 6 60
  68 3.1 31
  69 7.12 71
  70 10.1 101
  71 62.6 626
  72 20 200
  73 0.29 3
  81 5.6 56
  82 3.1 31
  83 9.3 93
  84 0.59 6
  85 6.2 62
  86 3.1 31
  87 4.2 42
  88 0.25 3
  93 4.7 47
  94 2.5 25
  95 12.4 124
  96 0.31 3
  97 7.1 71
  98 2.3 23
  99 4 40
  100 0.5 5
  101 2.9 29
  105 4 40
  106 3.1 31
  107 0.23 2
  108 5 50
  109 52.7 527
  110 7.3 73
  111 1.46 15
  112 8.2 82
  113 4.5 45
  116 8.4 84
  117 0.47 5
  127 22.5 225
  128 3.1 31
  129 4.3 43
  153 3.4 34
//
