ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007054
RECORD_TITLE: TETRAHYDROGERANYL FORMATE; 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$NAME: TETRAHYDROGERANYL FORMATE
CH$NAME: 3,7-DIMETHYLOCTYL FORMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₂O₂
CH$EXACT_MASS: 186.16198
CH$SMILES: O=COCCC(C)CCCC(C)C
CH$IUPAC: InChI=1S/C11H22O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h9-11H,4-8H2,1-3H3
CH$LINK: INCHIKEY AGARWNGUJKCDII-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60887278

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$SPLASH: splash10-0abc-9000000000-161077e92ae4b9705661
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  18 2.35 24
  27 25.23 252
  28 5.81 58
  29 29.3 293
  31 27.44 274
  39 19.67 197
  40 4.4 44
  41 80.66 807
  42 23.54 235
  43 90.56 906
  44 3.86 39
  45 3.97 40
  47 1.71 17
  51 1.08 11
  53 7.94 79
  54 6.09 61
  55 99.99 999
  56 79.82 798
  57 55.93 559
  58 2.34 23
  67 6.21 62
  68 6.11 61
  69 61.31 613
  70 88.74 887
  71 29.74 297
  72 1.31 13
  73 2.26 23
  74 1.73 17
  81 4.01 40
  82 4.83 48
  83 28.48 285
  84 21.84 218
  85 5.31 53
  96 6.87 69
  97 19.2 192
  98 3.53 35
  111 9.67 97
  112 12.83 128
  113 1.16 12
  125 3.67 37
  140 2.31 23
//