MassBank Record: JP008732



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

ACCESSION: JP008732
RECORD_TITLE: GAMMA-DODECALACTONE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: GAMMA-DODECALACTONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H22O2 CH$EXACT_MASS: 198.16198 CH$SMILES: CCCCCCCCC(C1)OC(=O)C1 CH$IUPAC: InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h11H,2-10H2,1H3 CH$LINK: INCHIKEY WGPCZPLRVAWXPW-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-80B AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-000i-9000000000-a490bf6e0f9a2e81e23b PK$NUM_PEAK: 43 PK$PEAK: m/z int. rel.int. 27 9.57 96 28 4.97 50 29 27.54 275 39 5.25 53 41 23.09 231 42 4.93 49 43 14.11 141 53 1.6 16 54 3.06 31 55 16.65 167 56 11.62 116 57 8.23 82 58 1.37 14 60 1.41 14 67 2.52 25 68 2.93 29 69 7.27 73 70 4.65 47 71 2.64 26 72 2.11 21 73 1.65 17 81 2.5 25 82 1.77 18 83 4.8 48 84 4.34 43 85 99.99 999 86 3.79 38 87 1.29 13 95 1.91 19 96 3.28 33 97 2.84 28 98 3.02 30 100 4.29 43 110 2.12 21 111 1.34 13 114 2.41 24 123 1.14 11 128 6.59 66 136 2.05 21 138 1.73 17 139 1.2 12 141 1.28 13 180 1.12 11 //