ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007198
RECORD_TITLE: ISOPROPYL 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$NAME: ISOPROPYL DECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₆O₂
CH$EXACT_MASS: 214.19328
CH$SMILES: CCCCCCCCCC(=O)OC(C)C
CH$IUPAC: InChI=1S/C13H26O2/c1-4-5-6-7-8-9-10-11-13(14)15-12(2)3/h12H,4-11H2,1-3H3
CH$LINK: INCHIKEY PKPPDYGHKDIKBH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50177675

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$SPLASH: splash10-0006-9200000000-408a7325a368f7b0a84e
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  15 1.08 11
  27 18.74 187
  29 20.33 203
  39 10.59 106
  41 50.5 505
  42 17.57 176
  43 99.99 999
  44 2.33 23
  45 4.21 42
  53 1.99 20
  54 2.01 20
  55 24.06 241
  56 7.83 78
  57 26.75 268
  58 1.22 12
  59 20.21 202
  60 58.93 589
  61 10.9 109
  67 2.61 26
  68 2.76 28
  69 14.17 142
  70 4.93 49
  71 23.19 232
  73 23.65 237
  74 2.58 26
  81 2.76 28
  82 1.41 14
  83 7.69 77
  84 5.57 56
  85 7.14 71
  87 7.39 74
  89 1.03 10
  95 2.29 23
  97 2.96 30
  98 3.05 31
  101 1.89 19
  102 36.25 363
  103 3.81 38
  110 1.53 15
  111 1.56 16
  112 4.4 44
  113 1.31 13
  115 2.95 30
  129 12.92 129
  143 1.63 16
  155 24.36 244
  156 2.23 22
  172 16.97 170
  173 19.54 195
  174 1.59 16
//