MassBank Record: KO002242



 Apramycin; 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: KO002242
RECORD_TITLE: Apramycin; 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 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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 540 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-02ta-3960000000-8022be67139f9e85f82b PK$NUM_PEAK: 42 PK$PEAK: m/z int. rel.int. 68.900 24752.5 18 72.100 99010.0 73 74.000 74257.5 55 81.200 39604.0 29 82.300 24752.5 18 84.000 99010.0 73 86.300 84158.5 62 88.900 24752.5 18 89.500 84158.5 62 94.200 34653.5 26 96.200 351485.5 261 97.700 39604.0 29 102.000 79208.0 59 108.200 39604.0 29 110.300 198020.0 147 111.100 138614.0 103 112.900 24752.5 18 114.200 49505.0 37 120.200 9901.0 7 126.100 153465.5 114 135.200 79208.0 59 135.900 44554.5 33 141.900 39604.0 29 144.200 118812.0 88 149.900 39604.0 29 152.000 59406.0 44 162.200 282178.5 209 163.300 341584.5 253 170.000 84158.5 62 180.000 44554.5 33 180.500 39604.0 29 182.000 64356.5 48 182.400 14851.5 11 199.400 400990.5 297 200.500 54455.5 40 201.200 118812.0 88 217.400 1346536.0 999 225.000 24752.5 18 229.000 34653.5 26 271.400 123762.5 92 289.700 64356.5 48 326.700 64356.5 48 //