ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008904
RECORD_TITLE: 1-UNDECANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 1-UNDECANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₄O
CH$EXACT_MASS: 172.18272
CH$SMILES: CCCCCCCCCCCO
CH$IUPAC: InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3
CH$LINK: INCHIKEY KJIOQYGWTQBHNH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0026915

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-052f-9000000000-20374066c5383835f838
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  27 28.4 284
  28 7.8 78
  29 49.3 493
  30 0.16 2
  31 29.5 295
  32 1.6 16
  39 19 190
  40 0.39 4
  41 97.3 973
  42 37.4 374
  43 99.99 999
  44 0.36 4
  45 3.2 32
  53 5.9 59
  54 9.6 96
  55 9.33 93
  56 75.1 751
  57 50.3 503
  58 2.3 23
  65 0.1 1
  67 9.4 94
  68 27.8 278
  69 66.7 667
  70 6.44 64
  71 14.3 143
  73 2 20
  81 3.3 33
  82 2.42 24
  83 49.6 496
  84 41.9 419
  85 8.4 84
  96 0.59 6
  97 33 330
  98 18.5 185
  99 1.7 17
  110 0.21 2
  111 12.4 124
  112 7.7 77
  125 5.8 58
  126 1.8 18
  127 1.8 18
  154 8.6 86
  155 1.1 11
//