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MassBank Record: KO003662

Oleandomycin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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

ACCESSION: KO003662
RECORD_TITLE: Oleandomycin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID O016

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$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 688
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0006-0000093000-477e7331b3bae144101e
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  145.400 49505.0 2
  158.000 2287131.0 109
  271.300 34653.5 2
  302.600 217822.0 10
  369.200 34653.5 2
  495.000 9901.0 1
  544.700 21054476.5 999
  617.200 44554.5 2
  688.600 7861394.0 373
//

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