MassBank Record: RP031803



 2`-O-Methylguanosine; 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: RP031803
RECORD_TITLE: 2`-O-Methylguanosine; 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 318

CH$NAME: 2`-O-Methylguanosine CH$NAME: 2-amino-9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3H-purin-6-one CH$COMPOUND_CLASS: N/A; Metabolomics Standard CH$FORMULA: C11H15N5O5 CH$EXACT_MASS: 297.1073 CH$SMILES: CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2nc([nH]c3=O)N)CO)O CH$IUPAC: InChI=1S/C11H15N5O5/c1-20-7-6(18)4(2-17)21-10(7)16-3-13-5-8(16)14-11(12)15-9(5)19/h3-4,6-7,10,17-18H,2H2,1H3,(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1 CH$LINK: CAS 2140-71-8 CH$LINK: CHEBI 19229 CH$LINK: PUBCHEM CID:188959 CH$LINK: INCHIKEY OVYNGSFVYRPRCG-KQYNXXCUSA-N CH$LINK: CHEMSPIDER 164190
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$CHROMATOGRAPHY: RETENTION_TIME 0.928 min AC$CHROMATOGRAPHY: SOLVENT A Water with 0.1% formic acid AC$CHROMATOGRAPHY: SOLVENT B ACN with 0.1% formic acid
MS$FOCUSED_ION: BASE_PEAK 152.0562 MS$FOCUSED_ION: PRECURSOR_M/Z 298.1146 MS$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$SPLASH: splash10-0udi-2900000000-08d82cb679e5d0723f58 PK$NUM_PEAK: 52 PK$PEAK: m/z int. rel.int. 54.0552 74 3 55.0166 220 11 55.0286 94 5 57.0324 372 20 59.0481 314 16 61.0279 366 19 69.0328 3078 166 71.0123 156 8 71.0488 218 11 73.0273 92 4 73.0635 276 14 74.015 44 2 74.1091 116 6 75.0435 490 26 80.0239 114 6 82.0414 136 7 85.0271 140 7 87.0439 282 15 89.1195 40 2 92.057 40 2 93.0643 60 3 97.0282 140 7 99.0426 156 8 101.0586 150 8 104.094 44 2 107.0337 78 4 109.0507 242 13 110.0341 1210 65 110.0463 86 4 111.0195 54 2 111.111 64 3 112.0755 38 2 112.1251 48 2 113.0206 76 4 115.0389 96 5 119.9992 40 2 128.0439 218 11 128.0502 174 9 132.0854 156 8 135.0294 1284 69 136.0297 50 2 136.1293 104 5 137.0841 102 5 139.0529 40 2 147.9803 80 4 149.1005 46 2 152.056 18516 999 153.0396 3842 207 153.0581 1340 72 154.0426 194 10 154.0627 48 2 181.0729 44 2 //