MassBank Record: KO001836



 Sisomicin; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001836
RECORD_TITLE: Sisomicin; LC-ESI-QQ; MS2; CE:50 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 S047

CH$NAME: Sisomicin CH$NAME: Antibiotic 6640 CH$NAME: Dehydrogentamicin Cla CH$NAME: Rickamicin CH$COMPOUND_CLASS: N/A CH$FORMULA: C19H37N5O7 CH$EXACT_MASS: 447.26930 CH$SMILES: NCC(=C3)O[C@@H]([C@H](N)C3)O[C@H]([C@@H](N)1)[C@H](O)[C@@H](O[C@@H](O2)[C@H](O)[C@@H](NC)[C@](C)(O)C2)[C@H](N)C1 CH$IUPAC: InChI=1S/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,20-23H2,1-2H3/t9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+/m1/s1 CH$LINK: CAS 32385-11-8 CH$LINK: CHEBI 9169 CH$LINK: KEGG C00494 CH$LINK: NIKKAJI J342.544D CH$LINK: PUBCHEM SID:3777
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 446 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0ab9-9100000000-ccd5691ace392b03e90b PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 58.500 44554.5 200 58.700 222772.5 999 69.500 14851.5 67 72.100 153465.5 688 72.500 34653.5 155 75.100 24752.5 111 84.200 108911.0 488 96.800 84158.5 377 102.300 89109.0 400 107.700 19802.0 89 125.600 34653.5 155 //