MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000139
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000139
RECORD_TITLE: CERVICARCIN; FD-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$NAME: CERVICARCIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H20O9
CH$EXACT_MASS: 392.11073
CH$SMILES: CC(O1)C1C(=O)C(O)(C(C)3)C(O)C(C(O)4)(O2)C(C(=O)c(c5)c(c(O)cc5)4)(C(O)3)2
CH$IUPAC: InChI=1S/C19H20O9/c1-6-12(21)18-13(22)8-4-3-5-9(20)10(8)14(23)19(18,28-18)16(25)17(6,26)15(24)11-7(2)27-11/h3-7,11-12,14,16,20-21,23,25-26H,1-2H3
CH$LINK: INCHIKEY
ZGZVMKCZHDIFQA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID30940167
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: FD-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-0009000000-da8bad7164d882e63056
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
115 10.22 102
127 5.36 54
188 2.14 21
257 1.31 13
283 1.85 19
288 1.23 12
299 1.35 14
306 5.34 53
307 1.54 15
332 2.81 28
334 1.38 14
336 1.76 18
356 6.79 68
359 1.97 20
362 1.88 19
374 1.81 18
389 4.48 45
392 99.99 999
393 19.07 191
394 9.87 99
395 1.71 17
//