ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008773
RECORD_TITLE: 10-UNDECENAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA

CH$NAME: 10-UNDECENAL
CH$NAME: 10-UNDECENYL ALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₀O
CH$EXACT_MASS: 168.15142
CH$SMILES: C=CCCCCCCCCC=O
CH$IUPAC: InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h2,11H,1,3-10H2
CH$LINK: CAS 112-45-8
CH$LINK: INCHIKEY OFHHDSQXFXLTKC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3037757

AC$INSTRUMENT: HP 5970
AC$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$SPLASH: splash10-05mo-9000000000-b85716e58a562f12a6f5
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  36 0.49 5
  39 39.59 396
  41 99.99 999
  42 17.59 176
  43 30.35 304
  44 14.7 147
  45 2.91 29
  50 0.82 8
  51 1.95 20
  52 1.66 17
  53 11.27 113
  54 29.06 291
  55 82.49 825
  56 14.23 142
  57 27.23 272
  58 3.59 36
  59 1.03 10
  65 3 30
  66 4.36 44
  67 46.45 465
  68 25.86 259
  69 24.43 244
  70 15.86 159
  71 6.96 70
  72 1.86 19
  73 0.54 5
  77 1.46 15
  79 16.98 170
  80 11.73 117
  81 22.7 227
  82 25.3 253
  83 19.82 198
  84 10.87 109
  85 2.75 28
  86 2.33 23
  91 1.19 12
  93 11.67 117
  94 7.99 80
  95 10.9 109
  96 6.09 61
  97 12.19 122
  98 14.54 145
  99 1.38 14
  100 0.86 9
  107 5.63 56
  108 4.13 41
  109 3.77 38
  110 0.85 9
  111 6.85 69
  112 3.47 35
  121 10 100
  122 2.52 25
  124 3.24 32
  125 2.19 22
  135 1.66 17
  150 1.01 10
//