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MassBank Record: MSBNK-RIKEN_ReSpect-PT208860

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

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-RIKEN_ReSpect-PT208860
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 Ramp 5-45 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$SPLASH: splash10-000i-0900000000-98cfc7dd6d4b6ccbba0b
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  134.109 147.1 171
  135.1174 860.6 999
//

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