ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007566
RECORD_TITLE: PERILLALDEHYDE; 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$NAME: PERILLALDEHYDE
CH$NAME: 4-(1-METHYLETHENYL)-1-CYCLOHEXENE-1-CARBALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄O
CH$EXACT_MASS: 150.10447
CH$SMILES: O=CC(C1)=CCC(C(C)=C)C1
CH$IUPAC: InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3
CH$LINK: CAS 2111-75-3
CH$LINK: INCHIKEY RUMOYJJNUMEFDD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6051855

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$SPLASH: splash10-014i-9400000000-a85682020d5afcb60c38
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  41 10.08 101
  43 8.49 85
  53 13.66 137
  55 10.11 101
  67 43.14 431
  68 99.99 999
  79 51.31 513
  80 12.53 125
  93 27.85 279
  95 20.03 200
  107 42.21 422
  108 20.14 201
  121 22.17 222
  122 25.06 251
  132 4.46 45
  135 21.33 213
  150 21.93 219
  151 2.41 24
//