ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009568
RECORD_TITLE: 1,10-DECANEDIOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: 1,10-DECANEDIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₂O₂
CH$EXACT_MASS: 174.16198
CH$SMILES: OCCCCCCCCCCO
CH$IUPAC: InChI=1S/C10H22O2/c11-9-7-5-3-1-2-4-6-8-10-12/h11-12H,1-10H2
CH$LINK: INCHIKEY FOTKYAAJKYLFFN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3059420

AC$INSTRUMENT: JEOL JMS-AX-505-H
AC$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$SPLASH: splash10-00ls-9000000000-d5b34fe31587c24e0883
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
  26 2.1 21
  27 39.47 395
  28 12.63 126
  29 56.76 568
  30 2.17 22
  31 99.99 999
  32 1.38 14
  39 28.28 283
  40 6.42 64
  41 94.71 947
  42 26.56 266
  43 31.63 316
  44 6.49 65
  45 5.92 59
  51 1.03 10
  53 8.3 83
  54 29.52 295
  55 70.24 702
  56 18.84 188
  57 16.48 165
  58 1.75 18
  65 1.61 16
  66 8.38 84
  67 63.15 632
  68 68.83 688
  69 46.93 469
  70 16.27 163
  71 13.18 132
  72 2.46 25
  73 3.78 38
  77 1.27 13
  79 4.7 47
  80 3.54 35
  81 65.23 652
  82 92.95 930
  83 44.11 441
  84 11.75 118
  85 13.33 133
  86 3.06 31
  87 1.82 18
  93 2.13 21
  94 3.51 35
  95 68.36 684
  96 66.41 664
  97 34.49 345
  98 14.01 140
  99 9.51 95
  100 1.86 19
  108 1.26 13
  109 35.78 358
  110 42 420
  111 7.31 73
  112 3.08 31
  113 5.63 56
  123 3.28 33
  124 1.21 12
  126 9.98 100
  127 1.65 17
  128 1.32 13
  137 1.56 16
  138 3.68 37
  157 1.16 12
  175 4.32 43
//