MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000165
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000165
RECORD_TITLE: KUWANON-C; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUKUSHIMA K, INST. FOR CHEMOBIODYNAMICS, CHIBA UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: KUWANON-C
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C25H26O6
CH$EXACT_MASS: 422.17294
CH$SMILES: CC(C)=CCc(c(O)3)c(O1)c(c(O)c3)C(=O)C(CC=C(C)C)=C(c(c2)c(O)cc(O)c2)1
CH$IUPAC: InChI=1S/C25H26O6/c1-13(2)5-8-17-20(28)12-21(29)22-23(30)18(9-6-14(3)4)24(31-25(17)22)16-10-7-15(26)11-19(16)27/h5-7,10-12,26-29H,8-9H2,1-4H3
CH$LINK: INCHIKEY
UWQYBLOHTQWSQD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID20212148
AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$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$SPLASH: splash10-00fr-0009400000-4210925cffaf9d547765
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
165 16.37 164
227 1.02 10
241 4.51 45
269 1.16 12
283 1.62 16
297 3.73 37
299 1.73 17
307 1.67 17
309 2.15 22
310 2.67 27
311 30.84 308
312 5.55 56
313 1.03 10
323 34.92 349
324 9.01 90
325 2.87 29
333 1.9 19
335 1.9 19
337 3.32 33
347 1.94 19
349 10.05 101
350 2.52 25
351 5.61 56
354 1.68 17
361 6.3 63
362 1.1 11
363 2.08 21
365 11.84 118
366 6.21 62
367 8.09 81
379 99.99 999
380 24.3 243
381 4.72 47
389 13.59 136
390 2.76 28
393 1.43 14
403 2.86 29
404 4.94 49
405 16.5 165
406 4.17 42
407 5.7 57
420 1.97 20
421 6.48 65
422 80.39 804
423 23.46 235
424 5.18 52
//