MassBank Record: KO002244



 Apramycin; LC-ESI-QQ; MS2; CE:20 V; [M+2H]++ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002244
RECORD_TITLE: Apramycin; LC-ESI-QQ; MS2; CE:20 V; [M+2H]++
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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 270.5 MS$FOCUSED_ION: PRECURSOR_TYPE [M+2H]++
PK$SPLASH: splash10-03xr-2951000000-4705797fde854dffb91b PK$NUM_PEAK: 138 PK$PEAK: m/z int. rel.int. 60.000 316832.0 17 68.100 232673.5 12 68.900 123762.5 7 70.000 118812.0 6 71.000 94059.5 5 72.200 480198.5 25 72.900 74257.5 4 74.100 69307.0 4 79.900 158416.0 8 81.000 108911.0 6 82.100 623763.0 33 83.300 69307.0 4 84.100 2405943.0 127 85.000 435644.0 23 86.000 242574.5 13 87.000 79208.0 4 88.100 89109.0 5 88.900 39604.0 2 90.000 2470299.5 130 91.900 29703.0 2 94.000 49505.0 3 96.000 1816833.5 96 97.000 599010.5 32 97.700 732674.0 39 98.700 222772.5 12 99.900 128713.0 7 100.200 74257.5 4 100.800 183168.5 10 101.900 1603962.0 85 105.700 19802.0 1 107.900 306931.0 16 109.100 277228.0 15 110.000 480198.5 25 111.000 603961.0 32 112.200 89109.0 5 114.100 361386.5 19 114.400 118812.0 6 115.700 24752.5 1 116.200 569307.5 30 117.100 49505.0 3 118.300 282178.5 15 118.500 14851.5 1 119.700 24752.5 1 121.800 54455.5 3 124.300 64356.5 3 126.100 2029705.0 107 126.800 242574.5 13 128.100 554456.0 29 131.900 74257.5 4 132.700 14851.5 1 133.300 24752.5 1 134.900 39604.0 2 136.200 74257.5 4 137.700 34653.5 2 140.800 44554.5 2 141.800 123762.5 7 144.100 4311885.5 228 144.900 1168318.0 62 146.100 257426.0 14 150.000 133663.5 7 150.300 44554.5 2 150.900 54455.5 3 153.300 118812.0 6 153.900 19802.0 1 156.100 44554.5 2 162.100 11014862.5 581 163.300 12480210.5 659 164.100 747525.5 39 168.000 217822.0 11 169.100 84158.5 4 171.800 267327.0 14 172.700 69307.0 4 175.100 64356.5 3 180.400 603961.0 32 181.200 514852.0 27 182.000 455446.0 24 183.400 44554.5 2 184.100 29703.0 2 187.000 118812.0 6 187.600 19802.0 1 190.100 465347.0 25 195.000 19802.0 1 197.500 44554.5 2 199.400 2262378.5 119 200.300 1188120.0 63 201.400 589109.5 31 202.300 44554.5 2 211.300 69307.0 4 213.300 74257.5 4 216.500 24752.5 1 217.300 18925761.5 999 218.300 1202971.5 63 219.200 34653.5 2 225.300 89109.0 5 226.800 49505.0 3 229.000 69307.0 4 230.100 39604.0 2 235.500 54455.5 3 236.800 34653.5 2 239.100 84158.5 4 241.900 49505.0 3 243.200 113861.5 6 253.200 237624.0 13 254.400 94059.5 5 255.200 143564.5 8 256.500 24752.5 1 259.500 59406.0 3 262.600 237624.0 13 265.000 24752.5 1 267.700 9901.0 1 270.700 118812.0 6 271.200 1663368.0 88 272.500 138614.0 7 273.600 118812.0 6 277.400 89109.0 5 280.400 39604.0 2 283.500 24752.5 1 285.800 14851.5 1 289.500 910892.0 48 290.600 143564.5 8 295.500 207921.0 11 307.800 24752.5 1 308.700 277228.0 15 309.500 44554.5 2 312.400 64356.5 3 313.600 277228.0 15 326.700 490099.5 26 327.700 54455.5 3 331.500 39604.0 2 343.300 94059.5 5 344.500 2138616.0 113 345.400 306931.0 16 361.500 287129.0 15 362.600 2500002.5 132 363.600 168317.0 9 378.500 282178.5 15 379.500 500000.5 26 380.600 19802.0 1 //