ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006864
RECORD_TITLE: 2-UNDECANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: 2-UNDECANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₄O
CH$EXACT_MASS: 172.18272
CH$SMILES: CCCCCCCCCC(C)O
CH$IUPAC: InChI=1S/C11H24O/c1-3-4-5-6-7-8-9-10-11(2)12/h11-12H,3-10H2,1-2H3
CH$LINK: INCHIKEY XMUJIPOFTAHSOK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2058673

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$SPLASH: splash10-0002-9000000000-ae2234e36f98258b6c7c
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  27 7.68 77
  29 10.81 108
  31 1.17 12
  39 4.21 42
  41 18.48 185
  42 6.16 62
  43 19.95 200
  44 5.99 60
  45 99.99 999
  46 2.06 21
  53 1.14 11
  54 1.05 11
  55 15.84 158
  56 8.32 83
  57 12.45 125
  58 1.31 13
  67 1.33 13
  69 9.83 98
  70 7.64 76
  71 4.57 46
  82 1.41 14
  83 10.68 107
  84 4.82 48
  85 3.06 31
  97 7.05 71
  98 2.35 24
  111 2.38 24
  112 1.27 13
  126 3.47 35
  154 1.64 16
  157 1.4 14
//