ACCESSION: MSBNK-RIKEN_ReSpect-PS088402
RECORD_TITLE: 3,3-Dimethyl-2-methylenenorcamphane, 2,2-Dimethyl-3-methylenebicyclo(2.2.1)heptane, Comphene, 2,2-Dimethyl-3-methylenenorbornane, Camphene ; LC-ESI-QQ; MS2
DATE: 2009.02.09
AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2008 Plant Science Center, RIKEN
PUBLICATION: Sawada, Y.; Akiyama, K.; Sakata, A.; Kuwahara, A.; Otsuki, H.; Sakurai, T.; Saito, K.; Hirai, M. Y. Widely Targeted Metabolomics Based on Large-Scale MS/MS Data for Elucidating Metabolite Accumulation Patterns in Plants. Plant and Cell Physiology 2008, 50 (1), 37–47. DOI:10.1093/pcp/pcn183
COMMENT: Build 5
COMMENT: Data acquisition and generation is financially supported in part by CREST/JST.
COMMENT: Source compound Wako/Avocado , 528-95021/A18040 .
COMMENT: PRIMe compound in-house ID S0331
COMMENT: This spectra was automatically generated from the raw data without manual curation of data quality.
COMMENT: The spectral data and services are available to the research and academic community only.
COMMENT: All users must cite follwing literature in publication(s).

CH$NAME: 3,3-Dimethyl-2-methylenenorcamphane
CH$NAME: 2,2-Dimethyl-3-methylenebicyclo(2.2.1)heptane
CH$NAME: Comphene
CH$NAME: 2,2-Dimethyl-3-methylenenorbornane
CH$NAME: Camphene
CH$COMPOUND_CLASS: CLASS1 Terpenoid CLASS2 Monoterpenoid CLASS3 Camphene
CH$FORMULA: C₁₀H₁₆
CH$EXACT_MASS: 136.238
CH$SMILES: CC1(C2CCC(C2)C1=C)C
CH$IUPAC: InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3
CH$LINK: CAS 79-92-5
CH$LINK: KEGG C06076
CH$LINK: PUBCHEM CID:6616
CH$LINK: INCHIKEY CRPUJAZIXJMDBK-UHFFFAOYSA-N

AC$INSTRUMENT: TQD, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 137.19

PK$SPLASH: splash10-0002-9000000000-b74cf4499a634c9ffb73
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
95.0 217314.0 999
//