ACCESSION: MSBNK-RIKEN_ReSpect-PT208863
RECORD_TITLE: gamma-Terpinene, Moslene, Crithmene, 1-methyl-4-propan-2-ylcyclohexa-1,4-diene, 1-Methyl-4-isopropyl-1,4-cyclohexadiene, p-Mentha-1,4-diene; LC-ESI-QTOF; MS2
DATE: 2008.07.29
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: gamma-Terpinene
CH$NAME: Moslene
CH$NAME: Crithmene
CH$NAME: 1-methyl-4-propan-2-ylcyclohexa-1,4-diene
CH$NAME: 1-Methyl-4-isopropyl-1,4-cyclohexadiene
CH$NAME: p-Mentha-1,4-diene
CH$COMPOUND_CLASS: CLASS1 Terpenoid CLASS2 Monoterpenoid CLASS3 Terpinene
CH$FORMULA: C₁₀H₁₆
CH$EXACT_MASS: 136.238
CH$SMILES: CC1=CCC(=CC1)C(C)C
CH$IUPAC: InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3
CH$LINK: CAS 99-85-4
CH$LINK: INCHIKEY YKFLAYDHMOASIY-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 135.11739

PK$SPLASH: splash10-0019-2900000000-898e1880d94396f2ba76
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  89.0892 12.43 479
  108.0789 2.81 108
  117.0988 2.698 104
  134.1096 25.93 999
  135.1174 17.55 676
//