ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007550
RECORD_TITLE: CITRONELLYL FORMATE; 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$NAME: CITRONELLYL FORMATE
CH$NAME: FORMIC ACID 3,7-DIMETHYL-6-OCTEN-1-OL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₀O₂
CH$EXACT_MASS: 184.14633
CH$SMILES: O=COCCC(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C11H20O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,9,11H,4,6-8H2,1-3H3
CH$LINK: INCHIKEY DZNVIZQPWLDQHI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1044772

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-00lr-9100000000-62cabec8ecf5956214be
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  32 99.89 999
  40 20.38 204
  41 24.41 244
  55 52.82 528
  56 25.42 254
  68 40.03 400
  69 99.99 999
  81 46.5 465
  82 49.6 496
  95 37.59 376
  96 12.54 125
  109 19.21 192
  123 35.02 350
  138 16.18 162
  141 2.65 27
//