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MassBank Record: KO009137

Oleandomycin; LC-ESI-IT; MS3; m/z: 688/544; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO009137
RECORD_TITLE: Oleandomycin; LC-ESI-IT; MS3; m/z: 688/544; [M+H]+
DATE: 2011.12.05 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID O016
COMMENT: [MS2] KO009136

CH$NAME: Oleandomycin
CH$NAME: Romicil
CH$NAME: Matromycin
CH$NAME: Amimycin
CH$NAME: Landomycin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C35H61NO12
CH$EXACT_MASS: 687.41938
CH$SMILES: [C@H](C4)(N(C)C)[C@@H](C(O[C@H]4C)O[C@H]([C@@H](C)2)[C@H](C[C@](C(=O)[C@H](C)[C@@H](O)[C@H]([C@H](OC([C@H](C)[C@H]2O[C@H](O3)C[C@H](OC)[C@@H]([C@@H]3C)O)=O)C)C)(C1)O1)C)O
CH$IUPAC: InChI=1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3
CH$LINK: CAS 3922-90-5
CH$LINK: CHEBI 16869
CH$LINK: KEGG C01946
CH$LINK: NIKKAJI J10.660G
CH$LINK: PUBCHEM SID:5050
CH$LINK: INCHIKEY RZPAKFUAFGMUPI-UHFFFAOYSA-N

AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS3
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.90/0.60

MS$FOCUSED_ION: PRECURSOR_M/Z 688/544
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-0006-0200090000-91cefa2843239a2d7cb3
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  158.0 61.81 277
  369.2 13.09 59
  542.2 4.45 20
  543.4 13.53 61
  544.1 222.57 999
  583.7 2.55 11
//

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