ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006136
RECORD_TITLE: ISOPROPYL DECANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: ISOPROPYL DECANOATE
CH$NAME: ISOPROPYL CAPRATE
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$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-08ml-9200000000-7bf2af4407fed0441884
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  27 2.12 21
  29 2.5 25
  41 11.62 116
  42 8.8 88
  43 99.99 999
  44 3.01 30
  45 1.1 11
  55 8.9 89
  56 4.5 45
  57 36.92 369
  58 1.66 17
  59 30.2 302
  60 95.47 955
  61 21.3 213
  67 2.09 21
  68 1.42 14
  69 13.21 132
  70 5.15 52
  71 32.72 327
  72 1.67 17
  73 29.85 299
  74 4.48 45
  81 3.46 35
  82 1.85 19
  83 7.91 79
  84 6.99 70
  85 8.8 88
  87 10.62 106
  89 1.56 16
  95 3.48 35
  97 3.37 34
  98 4.31 43
  101 3.29 33
  102 54.49 545
  103 6.13 61
  110 2.23 22
  111 1.94 19
  112 6.52 65
  113 1.63 16
  115 4.43 44
  129 14.76 148
  130 1.19 12
  143 2.1 21
  155 19.61 196
  156 1.91 19
  172 11.6 116
  173 12.26 123
  174 1.15 12
//