ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007002
RECORD_TITLE: HEPTYL OCTANOATE; 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$NAME: HEPTYL OCTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₃₀O₂
CH$EXACT_MASS: 242.22458
CH$SMILES: CCCCCCCC(=O)OCCCCCCC
CH$IUPAC: InChI=1S/C15H30O2/c1-3-5-7-9-11-13-15(16)17-14-12-10-8-6-4-2/h3-14H2,1-2H3
CH$LINK: INCHIKEY TZXWLJYLYILFGM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80195382

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$SPLASH: splash10-0a4m-9100000000-af9e15cd18215dc28475
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  27 15.59 156
  29 30.69 307
  39 9.44 94
  41 58.45 585
  42 19.54 195
  43 54.65 547
  44 1.1 11
  45 1.49 15
  53 2.71 27
  54 3.59 36
  55 42.68 427
  56 49.25 493
  57 99.99 999
  58 3.87 39
  59 1.38 14
  60 11.66 117
  61 28.76 288
  67 3.68 37
  68 9.24 92
  69 26.65 267
  70 44.53 445
  71 3.65 37
  73 13.22 132
  81 1.58 16
  82 1.91 19
  83 9.62 96
  84 3.73 37
  85 2.13 21
  87 4.28 43
  89 3.46 35
  97 3.66 37
  98 60.05 601
  99 4.18 42
  101 7.35 74
  103 1.73 17
  109 1.59 16
  115 2.46 25
  116 1.43 14
  125 1.08 11
  127 34.34 343
  128 2.68 27
  143 1.32 13
  144 5.27 53
  145 63.84 638
  146 4.45 45
//