ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008366
RECORD_TITLE: GERANYL METHYL-ETHYL-ACETATE; 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$NAME: GERANYL METHYL-ETHYL-ACETATE
CH$NAME: GERANYL 2-METHYLBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₆O₂
CH$EXACT_MASS: 238.19328
CH$SMILES: CCC(C)C(=O)OCC=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h8,10,14H,6-7,9,11H2,1-5H3/b13-10+
CH$LINK: INCHIKEY PEQMAZJTEUEQJP-JLHYYAGUSA-N
CH$LINK: COMPTOX DTXSID50887489

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$SPLASH: splash10-014l-9100000000-34aeff53314662035675
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  27 5.2 52
  29 14.16 142
  39 7.26 73
  40 1.9 19
  41 48.65 487
  42 2.37 24
  43 3.69 37
  53 8.57 86
  55 6.02 60
  56 1.53 15
  57 65.29 653
  58 2.53 25
  65 1.4 14
  66 1.1 11
  67 12.66 127
  68 51.2 512
  69 99.99 999
  70 5.34 53
  77 1.73 17
  79 3.82 38
  80 19.87 199
  81 11.73 117
  82 1.19 12
  84 1.24 12
  85 28.25 283
  86 1.44 14
  91 1.69 17
  92 9.71 97
  93 41.26 413
  94 7.46 75
  95 2.95 30
  96 1.14 11
  107 7.33 73
  108 2.38 24
  121 22.33 223
  122 2.03 20
  123 2.57 26
  136 20.71 207
  137 4.03 40
  154 1.58 16
  169 1.67 17
//