MassBank Record: JP003701



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

ACCESSION: JP003701
RECORD_TITLE: ZAPOTIN; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: SASAKI STOYOHASHI UNIV. OF TECH., TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: ZAPOTIN CH$COMPOUND_CLASS: N/A CH$FORMULA: C19H18O6 CH$EXACT_MASS: 342.11034 CH$SMILES: COc(c3)c(OC)c(C(=O)2)c(c3)OC(=C2)c(c(OC)1)c(OC)ccc1 CH$IUPAC: InChI=1S/C19H18O6/c1-21-12-6-5-7-13(22-2)18(12)16-10-11(20)17-14(25-16)8-9-15(23-3)19(17)24-4/h5-10H,1-4H3 CH$LINK: INCHIKEY PBQMALAAFQMDSP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80348078
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-004l-5309000000-039844ece4ee14c18c93 PK$NUM_PEAK: 78 PK$PEAK: m/z int. rel.int. 41 10 100 42 3 30 43 14 140 44 1.4 14 45 7 70 50 3 30 51 3 30 53 0.05 1 54 3 30 55 8 80 56 3 30 57 0.08 1 59 3 30 60 5 50 61 3 30 62 0.03 0 63 5 50 65 5 50 66 3 30 67 0.05 1 68 3 30 69 7 70 70 3 30 71 0.05 1 73 3 30 74 3 30 76 5 50 77 0.05 1 78 5 50 79 5 50 81 5 50 82 0.03 0 83 5 50 91 5 50 94 3 30 95 0.03 0 97 3 30 105 3 30 107 3 30 109 0.07 1 119 3 30 121 3 30 131 3 30 135 0.08 1 136 3 30 137 20 200 147 3 30 148 0.07 1 149 5 50 150 3 30 151 3 30 161 0.03 0 162 3 30 166 16 160 180 3 30 253 0.05 1 266 3 30 267 3 30 269 3 30 282 0.03 0 283 3 30 284 3 30 295 3 30 297 0.1 1 298 3 30 299 3 30 309 3 30 311 0.08 1 312 11 110 313 11 110 314 3 30 325 0.03 0 327 99.99 999 328 21 210 329 3 30 341 0.03 0 342 57 570 343 13 130 //

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