ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010063
RECORD_TITLE: 2-ISOPROPYL-1,5,9-TRIMETHYLDECANYL 2-ETHYLHEXANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: 2-ISOPROPYL-1,5,9-TRIMETHYLDECANYL 2-ETHYLHEXANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₄₈O₂
CH$EXACT_MASS: 368.36543
CH$SMILES: CCCCC(CC)C(=O)OC(C)C(CCC(C)CCCC(C)C)C(C)C
CH$IUPAC: InChI=1S/C24H48O2/c1-9-11-15-22(10-2)24(25)26-21(8)23(19(5)6)17-16-20(7)14-12-13-18(3)4/h18-23H,9-17H2,1-8H3
CH$LINK: INCHIKEY SYALHZYVHKJYEJ-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-056r-9700000000-4e64263a27cf963680d1
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  27 1.2 12
  29 2.4 24
  41 6.3 63
  43 1.67 17
  55 10.5 105
  56 6.6 66
  57 51.8 518
  58 0.2 2
  68 1.7 17
  69 11.2 112
  70 5.4 54
  71 1.39 14
  82 2.1 21
  83 9.1 91
  84 7.7 77
  85 1.02 10
  97 3.7 37
  98 7.2 72
  99 25.1 251
  100 0.15 2
  111 3.2 32
  113 3 30
  124 1.7 17
  125 0.17 2
  126 3.9 39
  127 99.99 999
  128 9.3 93
  139 0.19 2
  141 2.3 23
  145 2.8 28
  171 3.4 34
  224 0.65 7
  225 2.7 27
  324 0.8 8
//