MassBank Record: KO002240



 Apramycin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002240
RECORD_TITLE: Apramycin; LC-ESI-QQ; MS2; CE:30 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 540 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-016r-0479010000-542cd6cf15f85d4dd70b PK$NUM_PEAK: 43 PK$PEAK: m/z int. rel.int. 96.200 59406.0 16 110.200 34653.5 9 111.000 44554.5 12 128.000 74257.5 20 135.300 19802.0 5 161.900 99010.0 26 163.400 559406.5 150 169.400 79208.0 21 170.200 84158.5 23 170.600 34653.5 9 175.400 29703.0 8 180.100 227723.0 61 181.400 118812.0 32 182.200 108911.0 29 187.100 39604.0 11 193.100 24752.5 7 199.400 891090.0 238 199.800 84158.5 23 201.300 84158.5 23 205.100 19802.0 5 217.400 3732677.0 999 230.100 69307.0 19 243.200 54455.5 15 244.900 24752.5 7 254.500 29703.0 8 257.000 29703.0 8 271.400 707921.5 189 282.700 14851.5 4 308.400 84158.5 23 312.600 84158.5 23 312.900 89109.0 24 323.700 49505.0 13 325.800 49505.0 13 326.500 183168.5 49 330.600 69307.0 19 343.300 212871.5 57 344.500 970298.0 260 360.400 34653.5 9 361.500 495050.0 132 362.400 316832.0 85 378.600 2821785.0 755 523.500 267327.0 72 540.600 386139.0 103 //