MassBank Record: JP000143



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

ACCESSION: JP000143
RECORD_TITLE: CHARTREUSIN; 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$NAME: CHARTREUSIN CH$COMPOUND_CLASS: N/A CH$FORMULA: C32H32O14 CH$EXACT_MASS: 640.17921 CH$SMILES: [H]C(O)(C(OC)7[H])C([H])(C)OC(C7([H])O)(OC([H])(C([H])(O)1)C(Oc(c25)cccc(c(O)c(c64)C(Oc(c36)ccc(c3C(=O)Oc45)C)=O)2)(OC([H])(C)C1([H])O)[H])[H] CH$IUPAC: InChI=1S/C32H32O14/c1-10-8-9-15-18-16(10)29(38)45-26-17-13(23(35)20(19(18)26)30(39)43-15)6-5-7-14(17)44-32-28(24(36)21(33)11(2)42-32)46-31-25(37)27(40-4)22(34)12(3)41-31/h5-9,11-12,21-22,24-25,27-28,31-37H,1-4H3
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: splash10-0006-0000209000-99d7436b202124a120e2 PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 403 16.49 165 412 13.55 136 413 7.81 78 479 21.18 212 527 8.08 81 621 7.57 76 640 99.99 999 641 26.52 265 642 12.04 120 643 10.85 109 662 25.72 257 663 32.2 322 665 9.1 91 666 12.51 125 667 6.28 63 //