ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010081
RECORD_TITLE: 1,5-DIMETHYL-2-ISOPENTYLHEXYL TETRADECANOATE; 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$NAME: 1,5-DIMETHYL-2-ISOPENTYLHEXYL TETRADECANOATE
CH$NAME: 1,5-DIMETHYL-2-(3-METHYLBUTYL)HEXYL TETRADECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₇H₅₄O₂
CH$EXACT_MASS: 410.41238
CH$SMILES: CCCCCCCCCCCCCC(=O)OC(C)C(CCC(C)C)CCC(C)C
CH$IUPAC: InChI=1S/C27H54O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-27(28)29-25(6)26(21-19-23(2)3)22-20-24(4)5/h23-26H,7-22H2,1-6H3
CH$LINK: INCHIKEY JHAGSLRTFDBCLA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10659760

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$SPLASH: splash10-08mi-9230000000-083ba974a5e5551ae737
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  26 3.26 33
  29 7.72 77
  32 1.47 15
  39 1.62 16
  41 17.92 179
  42 3.81 38
  43 36.55 366
  44 1.32 13
  45 3.41 34
  53 1.26 13
  54 1.83 18
  55 19.29 193
  56 14.28 143
  57 59.34 593
  58 2.56 26
  60 1.66 17
  67 2.94 29
  68 2.94 29
  69 22.59 226
  70 28.47 285
  71 40.98 410
  72 2.58 26
  73 1.39 14
  81 3.73 37
  82 2.05 21
  83 10.02 100
  84 4.01 40
  85 23.38 234
  86 1.58 16
  95 5.09 51
  96 1.94 19
  97 6.88 69
  98 6.24 62
  99 8.61 86
  109 3.13 31
  110 2.71 27
  111 6.41 64
  112 7.8 78
  113 8.72 87
  123 1.6 16
  125 2.2 22
  126 31.31 313
  127 10.44 104
  128 2.24 22
  129 1.83 18
  182 22.29 223
  183 8.21 82
  211 99.99 999
  212 18.1 181
  213 1.62 16
  228 3.73 37
  229 3.92 39
  296 9.25 93
  297 2.24 22
  366 2.75 28
  367 0.85 9
  395 0.36 4
//