ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007559
RECORD_TITLE: LIMONENE; 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$NAME: LIMONENE
CH$NAME: (R)-1-METHYL-4-(1-METHYLETHENYL)CYCLOHEXENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₆
CH$EXACT_MASS: 136.12520
CH$SMILES: CC1=CC[C@@H](CC1)C(=C)C
CH$IUPAC: InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1
CH$LINK: CAS 5989-27-5
CH$LINK: INCHIKEY XMGQYMWWDOXHJM-JTQLQIEISA-N
CH$LINK: COMPTOX DTXSID1020778

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$SPLASH: splash10-014l-9100000000-1a0c62c6971532ab6782
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  28 33.29 333
  41 2.91 29
  53 6.32 63
  67 32.02 320
  68 99.99 999
  79 14.94 149
  80 10.2 102
  93 53.05 531
  94 24.26 243
  107 15.42 154
  108 5.21 52
  121 19.17 192
  136 14.37 144
  137 1.5 15
//