ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006531
RECORD_TITLE: GERANYL VALERATE; 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$NAME: GERANYL VALERATE
CH$NAME: 3,7-DIMETHYL-2,6-OCTADIENYL PENTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₆O₂
CH$EXACT_MASS: 238.19328
CH$SMILES: CCCCC(=O)OCC=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C15H26O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,11H,5-7,9-10,12H2,1-4H3/b14-11+
CH$LINK: INCHIKEY CVSWGLSBJFKWMW-SDNWHVSQSA-N
CH$LINK: COMPTOX DTXSID30883126

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$SPLASH: splash10-014l-9100000000-f157fa9066566c1aec77
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  27 6.27 63
  28 1.66 17
  29 14.01 140
  39 7.71 77
  40 2.39 24
  41 50.73 507
  42 2.71 27
  43 3.24 32
  53 8.64 86
  55 6.95 70
  57 31.16 312
  58 1.24 12
  65 1.2 12
  66 1.05 11
  67 11.23 112
  68 55.06 551
  69 99.99 999
  70 5.46 55
  77 1.57 16
  79 2.62 26
  80 16.8 168
  81 8.42 84
  82 1.13 11
  84 1.41 14
  85 41.21 412
  86 1.94 19
  91 1.52 15
  92 8.26 83
  93 37.74 377
  94 7.15 72
  95 2.09 21
  107 6.15 62
  108 1.78 18
  121 19.9 199
  122 1.73 17
  123 2.53 25
  136 16.99 170
  137 2.56 26
  154 1.48 15
  169 1.03 10
//