ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007564
RECORD_TITLE: NERYL ISOVALERATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKEUCHI T, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: NERYL ISOVALERATE
CH$NAME: ISOVALERIC ACID CIS-3,7-DIMETHYL-2,6-OCTADIEN-1-YL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₆O₂
CH$EXACT_MASS: 238.19328
CH$SMILES: CC(C)=CCCC(C)=CCOC(=O)CC(C)C
CH$IUPAC: InChI=1S/C15H26O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,9,13H,6,8,10-11H2,1-5H3/b14-9-
CH$LINK: INCHIKEY SOUKTGNMIRUIQN-ZROIWOOFSA-N
CH$LINK: COMPTOX DTXSID80884022

AC$INSTRUMENT: HITACHI M-86
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-014i-9100000000-3dbb76e3291037535474
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  41 15.01 150
  43 3.48 35
  57 59.12 591
  68 54.55 546
  69 99.99 999
  80 27.95 280
  85 30.85 309
  92 9.84 98
  93 44.77 448
  107 7.04 70
  121 24.72 247
  123 4.31 43
  136 18.12 181
  137 4.16 42
//