ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008582
RECORD_TITLE: 1,12-DODECANEDIOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: 1,12-DODECANEDIOL
CH$NAME: 1,12-DIHYDROXYDODECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₆O₂
CH$EXACT_MASS: 202.19328
CH$SMILES: OCCCCCCCCCCCCO
CH$IUPAC: InChI=1S/C12H26O2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h13-14H,1-12H2
CH$LINK: INCHIKEY GHLKSLMMWAKNBM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1074919

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-05o3-9000000000-5ae7ecc08ed83bbd0832
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  16 1.17 12
  18 9.69 97
  27 11.59 116
  29 15.79 158
  31 38.24 382
  39 8.95 90
  41 65.32 653
  42 15.6 156
  43 27.07 271
  44 2.02 20
  45 4.42 44
  53 4.4 44
  54 24.18 242
  55 99.99 999
  56 18.09 181
  57 16.83 168
  66 3.62 36
  67 36.93 369
  68 46.15 462
  69 37.02 370
  70 12.13 121
  71 7.33 73
  73 1.8 18
  81 28.99 290
  82 63.01 630
  83 23.91 239
  84 5.92 59
  85 4.87 49
  95 23.81 238
  96 24.56 246
  97 11.82 118
  98 3.39 34
  109 10.4 104
  110 9.6 96
  111 3.96 40
  123 3.6 36
  124 1.1 11
  138 1.88 19
//