MassBank Record: JP007574

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

ACCESSION: JP007574
RECORD_TITLE: TERPINYL ACETATE; 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$NAME: TERPINYL ACETATE CH$NAME: ACETIC ACID PARA-MENTH-1-EN-8-OL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H20O2 CH$EXACT_MASS: 196.14633 CH$SMILES: CC(=O)OC(C)(C)C(C1)CCC(=C)C1 CH$IUPAC: InChI=1S/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h11H,1,5-8H2,2-4H3 CH$LINK: CAS 8007-35-0 CH$LINK: INCHIKEY IWKXKWUCSZHJEK-UHFFFAOYSA-N
AC$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: splash10-00rf-9600000000-87aa6500b5f415c4625c PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 59 24.39 244 60 5.36 54 68 63.64 636 69 47.29 473 80 23.91 239 81 26.5 265 92 37.8 378 93 97.59 976 107 28.31 283 108 19.64 196 121 92.39 924 122 14.88 149 136 68.37 684 137 22.18 222 //