MassBank Record: KO002238



 Apramycin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002238
RECORD_TITLE: Apramycin; LC-ESI-QQ; MS2; CE:10 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 A100

CH$NAME: Apramycin sulfate CH$NAME: Apramycin CH$COMPOUND_CLASS: N/A CH$FORMULA: C21H41N5O11 CH$EXACT_MASS: 539.28026 CH$SMILES: OC[C@@H](O1)[C@@H](N)[C@H](O)[C@@H](O)[C@H]1O[C@H](O2)[C@@H](NC)[C@@H](O)[C@@H](O3)[C@@H](C[C@@H](N)[C@@H](O[C@H]([C@@H](N)4)[C@H](O)[C@@H](O)[C@H](N)C4)3)2 CH$IUPAC: InChI=1S/C21H41N5O11/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31/h5-21,26-32H,2-4,22-25H2,1H3/t5-,6+,7-,8-,9-,10-,11+,12+,13+,14-,15-,16-,17-,18+,19+,20+,21-/m1/s1 CH$LINK: CAS 37321-09-8 CH$LINK: KEGG C01555 CH$LINK: NIKKAJI J139.315D CH$LINK: PUBCHEM SID:4713
AC$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 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 540 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0006-0000090000-ea507c032d1b172012e3 PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 170.400 118812.0 9 242.200 24752.5 2 260.600 34653.5 3 362.300 34653.5 3 378.100 74257.5 5 388.600 29703.0 2 434.200 49505.0 4 523.700 34653.5 3 540.600 13688132.5 999 //