MassBank Record: JP008738



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

ACCESSION: JP008738
RECORD_TITLE: DELTA-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$NAME: DELTA-DODECALACTONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H22O2 CH$EXACT_MASS: 198.16198 CH$SMILES: CCCCCCCC(C1)OC(=O)CC1 CH$IUPAC: InChI=1S/C12H22O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h11H,2-10H2,1H3 CH$LINK: INCHIKEY QRPLZGZHJABGRS-UHFFFAOYSA-N
AC$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: splash10-006y-9000000000-6dde1f4e9eb6e77e2909 PK$NUM_PEAK: 53 PK$PEAK: m/z int. rel.int. 26 1.04 10 27 22.19 222 28 2.55 26 29 23.44 234 39 13.5 135 40 2.86 29 41 44.86 449 42 31.68 317 43 35.78 358 44 2.18 22 53 3.04 30 54 4.47 45 55 36.32 363 56 15.75 158 57 8.55 86 58 1.81 18 60 2.18 22 67 4.55 46 68 5.69 57 69 13.9 139 70 30.28 303 71 38.74 387 72 2 20 73 2.64 26 79 1.09 11 81 3.55 36 82 2.62 26 83 5.5 55 84 7.12 71 85 1.48 15 86 2.55 26 87 1.01 10 95 2.13 21 96 4.78 48 97 5.31 53 98 4.1 41 99 99.99 999 100 5.77 58 101 1.3 13 109 1.13 11 110 2.25 23 111 2.1 21 114 10.67 107 115 2.3 23 123 1.24 12 124 1.08 11 127 2.86 29 136 3.11 31 137 1.45 15 138 2.41 24 142 1.36 14 162 2.1 21 180 2.07 21 //