ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007205
RECORD_TITLE: HEPTYL DECANOATE; 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$NAME: HEPTYL DECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₃₄O₂
CH$EXACT_MASS: 270.25588
CH$SMILES: CCCCCCCCCC(=O)OCCCCCCC
CH$IUPAC: InChI=1S/C17H34O2/c1-3-5-7-9-10-11-13-15-17(18)19-16-14-12-8-6-4-2/h3-16H2,1-2H3
CH$LINK: INCHIKEY MPLLSYWBBPPERF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30208895

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$SPLASH: splash10-0abc-9100000000-2b5c6bcdbd11fde41d79
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  27 15.37 154
  29 36.22 362
  39 8.78 88
  41 66.24 662
  42 21.78 218
  43 84.15 842
  44 1.97 20
  45 1.52 15
  53 2.99 30
  54 6.11 61
  55 52.84 528
  56 56.66 567
  57 99.99 999
  58 4.6 46
  59 1.2 12
  60 16.51 165
  61 44.86 449
  67 5.31 53
  68 11.91 119
  69 38.65 387
  70 54.65 547
  71 23.11 231
  72 1 10
  73 22.77 228
  74 1.86 19
  81 4.75 48
  82 1.8 18
  83 13.51 135
  84 6.44 64
  85 9.31 93
  87 6.43 64
  89 1.97 20
  95 3.68 37
  96 1.16 12
  97 6.04 60
  98 87.39 874
  99 6.52 65
  101 2.46 25
  103 1.54 15
  110 1.64 16
  111 1.8 18
  112 1.54 15
  115 3.36 34
  116 1.61 16
  129 11.16 112
  130 1.01 10
  143 3.92 39
  155 30.13 301
  156 2.41 24
  171 1.51 15
  172 8.57 86
  173 73.39 734
  174 7.14 71
  270 1.29 13
//