ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006911
RECORD_TITLE: GERANYL PROPIONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: GERANYL PROPIONATE
CH$NAME: (E)-3,7-DIMETHYL-2,6-OCTADIENYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₂O₂
CH$EXACT_MASS: 210.16198
CH$SMILES: CCC(=O)OCC([H])=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C13H22O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9+
CH$LINK: INCHIKEY BYCHQEILESTMQU-FMIVXFBMSA-N
CH$LINK: COMPTOX DTXSID8051540

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$SPLASH: splash10-014i-9100000000-03915bc43c28d42c8c14
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  27 7.05 71
  29 19.33 193
  39 6.41 64
  40 1.79 18
  41 40.89 409
  42 2.24 22
  43 2.26 23
  53 7.92 79
  54 1.11 11
  55 3.62 36
  57 55.87 559
  58 1.81 18
  65 1.33 13
  67 10.66 107
  68 43.97 440
  69 99.99 999
  70 5.52 55
  77 1.62 16
  79 2.48 25
  80 12.59 126
  81 6.74 67
  84 1.86 19
  85 4.4 44
  91 1.67 17
  92 6.33 63
  93 26.75 268
  94 4.88 49
  95 1.92 19
  107 4.54 45
  108 1.42 14
  121 15.81 158
  122 1.28 13
  123 2.13 21
  136 16.82 168
  137 2.6 26
  141 1.36 14
  154 1.62 16
//