MassBank Record: RP031203



 2`-O-Methyladenosine; LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: RP031203
RECORD_TITLE: 2`-O-Methyladenosine; LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
DATE: 2017.10.27
AUTHORS: BGC, Helmholtz Zentrum Muenchen
LICENSE: CC BY
COPYRIGHT: Copyright (C) 2017
COMMENT: CONFIDENCE Standard Compound
COMMENT: INTERNAL_ID 312

CH$NAME: 2`-O-Methyladenosine CH$NAME: (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol CH$COMPOUND_CLASS: N/A; Metabolomics Standard CH$FORMULA: C11H15N5O4 CH$EXACT_MASS: 281.1124 CH$SMILES: CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O CH$IUPAC: InChI=1S/C11H15N5O4/c1-19-8-7(18)5(2-17)20-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 CH$LINK: CAS 2140-79-6 CH$LINK: CHEBI 69426 CH$LINK: PUBCHEM CID:102213 CH$LINK: INCHIKEY FPUGCISOLXNPPC-IOSLPCCCSA-N CH$LINK: CHEMSPIDER 92344
AC$INSTRUMENT: maXis plus UHR-ToF-MS, Bruker Daltonics AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 AC$CHROMATOGRAPHY: COLUMN_NAME BEH C18 1.7um, 2.1x100mm, Waters AC$CHROMATOGRAPHY: FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1.12 min, 0.5/99.5 at 6.41 min, 0.5/99.5 at 10.01 min AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min AC$CHROMATOGRAPHY: RETENTION_TIME 0.778 min AC$CHROMATOGRAPHY: SOLVENT A Water with 0.1% formic acid AC$CHROMATOGRAPHY: SOLVENT B ACN with 0.1% formic acid
MS$FOCUSED_ION: BASE_PEAK 282.1194 MS$FOCUSED_ION: PRECURSOR_M/Z 282.1197 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included MS$DATA_PROCESSING: WHOLE RMassBank 2.4.0
PK$SPLASH: splash10-000i-8900000000-2d48fa7336a6aa0dc5c9 PK$NUM_PEAK: 44 PK$PEAK: m/z int. rel.int. 53.0389 56 3 53.0946 46 2 55.0166 448 24 57.0322 1096 60 59.0482 1208 67 60.0201 130 7 61.0276 648 36 67.0168 50 2 69.0326 8788 488 71.0123 666 37 71.0474 296 16 73.028 440 24 73.0649 570 31 74.0347 80 4 75.0433 1290 71 83.0489 88 4 85.0274 486 27 87.0432 1112 61 89.0596 182 10 89.0942 60 3 92.0244 104 5 92.9973 46 2 94.04 1210 67 97.0282 658 36 99.0423 36 2 101.0598 696 38 102.0319 54 3 102.9895 36 2 108.0578 56 3 109.0495 196 10 112.0035 44 2 115.0369 50 2 119.0343 1190 66 120.0396 118 6 127.0576 46 2 129.0544 46 2 131.9989 40 2 136.0617 17974 999 137.0451 388 21 137.0647 1108 61 149.0235 44 2 149.0709 50 2 178.0667 72 4 192.0865 38 2 //