MassBank Record: JP007573

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TERPINOLENE; EI-B; MS
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n
metabolomics-usi visualisation

ACCESSION: JP007573
RECORD_TITLE: TERPINOLENE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: TAKEUCHI T, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: TERPINOLENE CH$NAME: PARA-MENTHA-1,4(8)-DIENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H16 CH$EXACT_MASS: 136.12520 CH$SMILES: CC(C1)=CCC(C1)=C(C)C CH$IUPAC: InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3 CH$LINK: CAS 586-62-9 CH$LINK: INCHIKEY MOYAFQVGZZPNRA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0027222
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$SPLASH: splash10-001l-9400000000-960c0e59a9b4fbc2f209 PK$NUM_PEAK: 7 PK$PEAK: m/z int. rel.int. 29 6.59 66 32 99.99 999 79 9.2 92 93 57.45 575 121 49.52 495 136 36.43 364 137 4 40 //