ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007203
RECORD_TITLE: HEXYL 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$NAME: HEXYL DECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₃₂O₂
CH$EXACT_MASS: 256.24023
CH$SMILES: CCCCCCCCCC(=O)OCCCCCC
CH$IUPAC: InChI=1S/C16H32O2/c1-3-5-7-9-10-11-12-14-16(17)18-15-13-8-6-4-2/h3-15H2,1-2H3
CH$LINK: INCHIKEY DGPNTCACXCHFDI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9065079

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$SPLASH: splash10-0a5c-9200000000-25c8f04250baf2e801e6
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  27 12.81 128
  29 22.43 224
  31 1 10
  39 7.65 77
  41 45.5 455
  42 21.57 216
  43 99.99 999
  44 2.57 26
  45 1.42 14
  53 2.14 21
  54 2.84 28
  55 39.2 392
  56 50.61 506
  57 28.57 286
  58 1.64 16
  59 1.09 11
  60 17.08 171
  61 34.19 342
  67 3.54 35
  68 2.47 25
  69 25.89 259
  70 3.29 33
  71 16.42 164
  73 19.84 198
  74 1.85 19
  81 2.83 28
  82 1.63 16
  83 7.48 75
  84 86.36 864
  85 23.08 231
  86 1.32 13
  87 4.35 44
  89 1.89 19
  95 2.6 26
  97 2.95 30
  98 3.21 32
  101 2.29 23
  103 1.42 14
  110 1.27 13
  111 1.54 15
  112 1.22 12
  115 2.81 28
  129 11.49 115
  143 1.35 14
  144 1.76 18
  155 29.26 293
  156 3.01 30
  157 1.49 15
  172 7.53 75
  173 61.73 617
  174 7.42 74
  213 1.03 10
  256 1.43 14
//