ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007197
RECORD_TITLE: PROPYL 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$NAME: PROPYL DECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₆O₂
CH$EXACT_MASS: 214.19328
CH$SMILES: CCCCCCCCCC(=O)OCCC
CH$IUPAC: InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-13(14)15-12-4-2/h3-12H2,1-2H3
CH$LINK: INCHIKEY OVFMRFMJVFDSAA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00184713

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$SPLASH: splash10-01vo-9300000000-3ab83e541031f18e243f
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  26 0.13 1
  27 26.18 262
  29 27.47 275
  31 3.14 31
  39 12.54 125
  41 67.55 676
  42 29.92 299
  43 95.31 953
  44 1.82 18
  45 2.61 26
  53 2.93 29
  54 2.85 29
  55 35.6 356
  56 9.48 95
  57 28.12 281
  58 2.15 22
  59 5.57 56
  60 65.92 659
  61 99.99 999
  62 2.45 25
  67 3.74 37
  68 3.73 37
  69 21.8 218
  70 4.5 45
  71 21.98 220
  72 1.49 15
  73 43.29 433
  74 4.29 43
  75 1.16 12
  79 1.05 11
  81 4.15 42
  82 1.48 15
  83 10.01 100
  84 6.77 68
  85 10.02 100
  87 14.33 143
  89 2.35 24
  95 3.72 37
  97 5.19 52
  98 4.96 50
  99 1.03 10
  101 3.07 31
  102 39.39 394
  103 6.65 67
  110 2.23 22
  111 2.43 24
  112 1.32 13
  115 20.98 210
  116 1.69 17
  129 15.16 152
  130 1.3 13
  135 1.2 12
  143 2.54 25
  153 1.55 16
  155 56.15 562
  156 5.32 53
  157 1.65 17
  171 5.08 51
  172 4.92 49
  173 60.42 604
  174 5.92 59
  214 2.65 27
//