MassBank Record: KO001833



 Sisomicin; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001833
RECORD_TITLE: Sisomicin; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 446 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-0010900000-e957e2ece6cb00541b9b PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 93.200 49505.0 30 96.900 24752.5 15 102.400 44554.5 27 164.300 19802.0 12 165.800 14851.5 9 216.900 59406.0 36 239.300 19802.0 12 269.500 54455.5 33 287.400 262376.5 158 320.700 39604.0 24 353.900 9901.0 6 386.400 14851.5 9 410.800 14851.5 9 428.200 158416.0 95 446.500 1663368.0 999 //