ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008691
RECORD_TITLE: TRIDECANAL; 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$NAME: TRIDECANAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₆O
CH$EXACT_MASS: 198.19837
CH$SMILES: CCCCCCCCCCCCC=O
CH$IUPAC: InChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3
CH$LINK: INCHIKEY BGEHHAVMRVXCGR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4021682

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$SPLASH: splash10-05mo-9000000000-62219af33beb40e81666
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  17 1.61 16
  18 8.05 81
  27 24.08 241
  29 45.22 452
  30 1.26 13
  31 1.39 14
  39 12.13 121
  41 94.37 944
  42 21.94 219
  43 99.99 999
  44 38.35 384
  45 10.88 109
  53 5.13 51
  54 12.22 122
  55 72.62 726
  56 36.94 369
  57 82.37 824
  58 5.07 51
  59 1.04 10
  65 1.13 11
  66 6.2 62
  67 38.77 388
  68 49.9 499
  69 45.16 452
  70 31.03 310
  71 32.16 322
  72 6.25 63
  77 1.31 13
  79 2.27 23
  80 2.07 21
  81 34.8 348
  82 70.62 706
  83 35.52 355
  84 12.28 123
  85 11.76 118
  86 2.22 22
  93 1.13 11
  94 1.81 18
  95 27.25 273
  96 36.39 364
  97 20.69 207
  98 7.07 71
  99 4.24 42
  109 9.59 96
  110 10.23 102
  111 7.27 73
  112 5.06 51
  113 1.88 19
  123 6.19 62
  124 7.94 79
  125 3.31 33
  126 3.13 31
  137 3.17 32
  138 2.99 30
  151 1.13 11
  152 4.97 50
  154 8.08 81
  155 1.45 15
  170 1.48 15
  180 1.83 18
//