ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006406
RECORD_TITLE: GERANYL 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$NAME: GERANYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₄O₂
CH$EXACT_MASS: 224.17763
CH$SMILES: CCCC(=O)OCC=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3/b13-10+
CH$LINK: INCHIKEY ZSBOMYJPSRFZAL-JLHYYAGUSA-N
CH$LINK: COMPTOX DTXSID1047152

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$SPLASH: splash10-014l-9000000000-c436cf6160d32f73057c
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  18 2.55 26
  27 11.61 116
  29 4.99 50
  39 8.83 88
  40 2.18 22
  41 56.11 561
  42 3.84 38
  43 36.09 361
  44 1.27 13
  51 1.19 12
  53 8.48 85
  54 1.47 15
  55 4.05 41
  56 1.02 10
  65 1.78 18
  66 1.35 14
  67 11.25 113
  68 48.57 486
  69 99.99 999
  70 4.48 45
  71 47.11 471
  72 2.23 22
  77 2.06 21
  79 3.15 32
  80 14.21 142
  81 6.42 64
  82 1.03 10
  83 1.06 11
  84 2.1 21
  85 1.96 20
  91 2.3 23
  92 5.67 57
  93 29.06 291
  95 1.58 16
  105 1.26 13
  107 4.19 42
  108 2.09 21
  121 15.78 158
  122 1.57 16
  123 2.25 23
  136 13.92 139
  137 2.95 30
  154 1.46 15
  155 1.51 15
//