MassBank Record: KO002241



 Apramycin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002241
RECORD_TITLE: Apramycin; LC-ESI-QQ; MS2; CE:40 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 540 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014i-0792000000-8699652f9d4aa7e960c1 PK$NUM_PEAK: 55 PK$PEAK: m/z int. rel.int. 72.200 49505.0 14 83.800 54455.5 15 89.100 74257.5 21 93.800 9901.0 3 96.000 168317.0 48 102.300 49505.0 14 108.400 29703.0 8 110.200 148515.0 42 111.100 123762.5 35 126.100 84158.5 24 127.000 39604.0 11 128.200 138614.0 39 135.300 44554.5 13 136.000 49505.0 14 142.400 14851.5 4 144.200 163366.5 46 145.200 44554.5 13 151.900 39604.0 11 157.100 14851.5 4 162.000 500000.5 142 163.300 648515.5 184 164.300 54455.5 15 170.200 103960.5 30 171.100 24752.5 7 173.100 19802.0 6 180.300 183168.5 52 181.100 178218.0 51 182.000 118812.0 34 187.300 59406.0 17 199.300 846535.5 240 201.500 143564.5 41 202.000 59406.0 17 217.300 3519805.5 999 218.500 39604.0 11 225.400 44554.5 13 227.600 44554.5 13 230.600 39604.0 11 231.600 19802.0 6 243.200 44554.5 13 251.800 19802.0 6 252.900 19802.0 6 255.300 39604.0 11 271.400 341584.5 97 289.200 64356.5 18 294.600 19802.0 6 308.500 54455.5 15 312.600 39604.0 11 313.300 128713.0 37 325.300 39604.0 11 326.500 113861.5 32 330.500 69307.0 20 343.400 34653.5 10 344.400 262376.5 74 362.600 133663.5 38 378.500 183168.5 52 //