MassBank Record: RP031802



 2`-O-Methylguanosine; LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: RP031802
RECORD_TITLE: 2`-O-Methylguanosine; LC-ESI-QTOF; MS2; CE: 20; 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 AC$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$SPLASH: splash10-0udi-0900000000-f78be7a1b335beb20e97 PK$NUM_PEAK: 42 PK$PEAK: m/z int. rel.int. 50.0473 88 1 57.0319 112 2 58.0989 80 1 59.0491 90 1 67.0385 68 1 69.0325 392 7 71.0485 144 2 71.0853 90 1 73.0281 66 1 73.0389 62 1 74.0029 74 1 75.0437 100 1 75.994 84 1 76.1201 112 2 78.0893 72 1 85.0273 122 2 87.0438 374 7 87.0652 62 1 88.0843 104 1 94.0259 56 1 96.0311 68 1 97.0274 156 2 97.098 62 1 97.1323 60 1 98.0931 56 1 101.0594 318 6 104.0563 114 2 110.035 194 3 112.0401 56 1 113.0341 108 2 115.0379 72 1 121.0856 160 3 130.0407 80 1 131.1153 90 1 138.1343 70 1 139.1072 104 1 147.0649 134 2 148.0553 194 3 148.086 58 1 152.0562 52732 999 153.0586 2644 50 154.0604 150 2 //