MassBank Record: RP031703



 Guanosine; 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: RP031703
RECORD_TITLE: Guanosine; 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 317

CH$NAME: Guanosine CH$COMPOUND_CLASS: N/A; Metabolomics Standard CH$FORMULA: C10H13N5O5 CH$EXACT_MASS: 283.0917 CH$SMILES: c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)[nH]c(=N)nc2O CH$IUPAC: InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1 CH$LINK: INCHIKEY NYHBQMYGNKIUIF-UUOKFMHZSA-N
AC$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 0.712 min AC$CHROMATOGRAPHY: SOLVENT A Water with 0.1% formic acid AC$CHROMATOGRAPHY: SOLVENT B ACN with 0.1% formic acid
MS$FOCUSED_ION: BASE_PEAK 152.0561 MS$FOCUSED_ION: PRECURSOR_M/Z 284.0989 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-a66e0179e4008e486918 PK$NUM_PEAK: 51 PK$PEAK: m/z int. rel.int. 54.1153 62 1 55.017 342 6 57.0321 898 16 59.0473 90 1 61.0273 478 8 65.0133 66 1 68.0134 66 1 69.0326 1192 21 71.0124 1092 19 73.0277 804 14 74.1047 96 1 77.0956 86 1 80.0243 144 2 82.04 362 6 82.0631 62 1 82.9972 64 1 84.0525 86 1 85.0277 790 14 86.0354 56 1 93.0088 100 1 95.0357 66 1 97.0269 148 2 97.0495 64 1 101.0137 58 1 107.0355 214 3 109.0502 792 14 110.0347 6194 111 112.0846 60 1 117.0864 60 1 119.08 82 1 120.0617 56 1 122.114 66 1 126.0748 68 1 127.0101 78 1 128.0454 414 7 128.093 96 1 134.0453 294 5 135.0301 4868 87 136.0148 108 1 136.0335 438 7 139.107 80 1 140.0126 96 1 140.0306 88 1 146.069 58 1 149.0217 66 1 152.0562 55502 999 153.0401 7286 131 154.025 100 1 154.0586 110 1 155.0372 56 1 171.054 76 1 //