MassBank Record: JP004372

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ENDO 1-ETHYL-5-METHYL-6,8-DIOXABICYCLO(3,2,1)OCTAN-3-OL; EI-B; MS
Mass Spectrum
Chemical Structure
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ACCESSION: JP004372
RECORD_TITLE: ENDO 1-ETHYL-5-METHYL-6,8-DIOXABICYCLO(3,2,1)OCTAN-3-OL; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: HAGIWARA H, CHEM. RES. INST. OF NON-AQUEOUS SOLUTIONS, TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ENDO 1-ETHYL-5-METHYL-6,8-DIOXABICYCLO(3,2,1)OCTAN-3-OL CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H16O3 CH$EXACT_MASS: 172.10994 CH$SMILES: CCC(C2)(C1)OC(C)(O2)CC(O)1 CH$IUPAC: InChI=1S/C9H16O3/c1-3-9-5-7(10)4-8(2,12-9)11-6-9/h7,10H,3-6H2,1-2H3 CH$LINK: INCHIKEY VONWIFAYZFAVMY-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-DX-300 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: splash10-0006-9100000000-8f88f6eddd4f58c7d548 PK$NUM_PEAK: 58 PK$PEAK: m/z int. rel.int. 27 10.15 102 28 3.33 33 29 23.72 237 30 0.11 1 31 5.8 58 39 8.72 87 40 1.95 20 41 14.1 141 42 5.37 54 43 99.99 999 44 3.61 36 45 3.76 38 53 3.29 33 55 7.09 71 56 1.84 18 57 46.16 462 58 8.96 90 59 2.46 25 67 3.68 37 68 2.1 21 69 7.73 77 70 2.17 22 71 20.56 206 72 11.76 118 73 2.23 22 79 1.4 14 81 2.59 26 82 2.28 23 83 5.61 56 84 7.19 72 85 38.42 384 86 3.26 33 87 1.71 17 88 4.59 46 89 3.87 39 95 6.67 67 96 26.6 266 97 8.93 89 98 2.14 21 99 0.41 4 100 1.2 12 101 5.83 58 109 4.61 46 111 3.17 32 113 6.3 63 114 1.18 12 115 6.88 69 125 2.81 28 126 1.1 11 139 1.47 15 140 3.36 34 141 1.53 15 142 2.41 24 143 4.15 42 154 3.63 36 155 1.29 13 157 3.4 34 172 0.64 6 //