ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008223
RECORD_TITLE: TRIDECANAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
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$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0apj-9100000000-b61d4f5b308532d094c4
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  41 9.54 95
  42 9.83 98
  44 55.78 558
  45 34.1 341
  54 19.65 197
  55 65.9 659
  56 41.91 419
  57 70.23 702
  58 4.65 47
  66 10.12 101
  67 52.63 526
  68 61.14 611
  70 29.41 294
  71 21.6 216
  80 12.15 122
  81 31.23 312
  82 99.99 999
  83 49.35 494
  84 15.37 154
  91 3.45 35
  94 5.76 58
  95 37.54 375
  96 52.85 529
  97 33.23 332
  98 8.64 86
  99 6.37 64
  107 5.75 58
  109 15.84 158
  110 23.46 235
  111 8.92 89
  123 9.23 92
  124 13.23 132
  152 17.33 173
  154 9.56 96
//