MassBank Record: JP000144



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

ACCESSION: JP000144
RECORD_TITLE: OLIGOMYCIN-A; 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$NAME: OLIGOMYCIN-A CH$COMPOUND_CLASS: N/A CH$FORMULA: C45H74O11 CH$EXACT_MASS: 790.52311 CH$SMILES: C(C=1)(OC(C2C)([H])C(C)C(OC2(O3)CCC(C)C3([H])CC(C)O)(CCC([H])(CC)C=CC=CCC(C(O)C(C)(O)C(=O)C(C(O)C(C(C(C(O)C(C1)C)C)=O)C)C)C)[H])=O CH$IUPAC: InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28-,29+,30+,31-,32-,33-,34-,35-,36-,38+,40+,41+,42+,44+,45-/m1/s1
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: splash10-03dm-0001103930-2adac3d6591df4101aeb PK$NUM_PEAK: 45 PK$PEAK: m/z int. rel.int. 315 10.86 109 331 5.99 60 390 10.56 106 396 33.18 332 412 9.51 95 421 6.59 66 422 9.21 92 431 17.82 178 447 22.39 224 512 14.75 148 592 5.91 59 610 9.66 97 646 11.53 115 660 35.28 353 662 25.84 258 674 7.19 72 676 16.25 163 679 7.26 73 703 8.91 89 735 15.95 160 755 18.65 187 756 11.98 120 757 7.11 71 763 9.43 94 769 7.04 70 771 5.84 58 772 8.23 82 773 19.02 190 774 21.19 212 775 23.44 234 782 15.88 159 783 18.57 186 785 9.73 97 788 13.03 130 789 13.85 139 790 77.75 778 793 9.81 98 794 11.23 112 801 10.78 108 804 20.29 203 807 10.26 103 813 19.7 197 814 19.92 199 816 11.31 113 827 17 170 //