ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006412
RECORD_TITLE: TETRAHYDROGERANYL BUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: TETRAHYDROGERANYL BUTYRATE
CH$NAME: 3,7-DIMETHYLOCTYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₈O₂
CH$EXACT_MASS: 228.20893
CH$SMILES: CCCC(=O)OCCC(C)CCCC(C)C
CH$IUPAC: InChI=1S/C14H28O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h12-13H,5-11H2,1-4H3
CH$LINK: INCHIKEY MHOJKRQFONEPRN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30886995

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$SPLASH: splash10-05fu-9000000000-94e47740ff37ebf9c7e7
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  27 20.37 204
  28 1.86 19
  29 17.97 180
  32 1.11 11
  39 8.36 84
  40 1.81 18
  41 51.27 513
  42 12.45 125
  43 99.99 999
  44 3.58 36
  45 1.49 15
  53 2.94 29
  54 2.58 26
  55 47.87 479
  56 64.48 645
  57 39.73 397
  58 1.76 18
  60 1.67 17
  67 3.5 35
  68 3.95 40
  69 43.71 437
  70 90.12 901
  71 77.49 775
  72 3 30
  73 1.45 15
  81 2.79 28
  82 2.92 29
  83 21.02 210
  84 19.63 196
  85 9.76 98
  86 1.3 13
  88 1.96 20
  89 32.49 325
  90 1.25 13
  95 1.27 13
  96 3 30
  97 11.07 111
  98 2.79 28
  99 1.27 13
  101 1.13 11
  111 11.11 111
  112 7.67 77
  113 1.66 17
  115 4.48 45
  116 1.2 12
  125 3.93 39
  140 17.31 173
  141 1.57 16
  143 2.36 24
  158 1.73 17
  185 2.14 21
//