ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008219
RECORD_TITLE: BETA-HOMOCYCLOCITRAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: BETA-HOMOCYCLOCITRAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₈O
CH$EXACT_MASS: 166.13577
CH$SMILES: O=CCC(=C(C)1)C(C)(C)CCC1
CH$IUPAC: InChI=1S/C11H18O/c1-9-5-4-7-11(2,3)10(9)6-8-12/h8H,4-7H2,1-3H3
CH$LINK: COMPTOX DTXSID0047088
CH$LINK: INCHIKEY VHTFHZGAMYUZEP-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:61124

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$SPLASH: splash10-0pw9-7900000000-2e91ff082564e0fb39dc
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  41 38.24 382
  55 29.41 294
  69 58.82 588
  81 79.41 794
  95 61.76 618
  107 94.12 941
  123 47.06 471
  133 41.18 412
  151 99.99 999
  166 23.53 235
//