MassBank Record: MSBNK-Keio_Univ-KO008966
ACCESSION: MSBNK-Keio_Univ-KO008966
RECORD_TITLE: Guanosine; LC-ESI-IT; MS2; m/z: 284; [M+H]+
DATE: 2011.05.10 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID G015
CH$NAME: Guanosine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H13N5O5
CH$EXACT_MASS: 283.091669
CH$SMILES: C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N
CH$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$LINK: CAS
118-00-3
CH$LINK: CHEBI
16750
CH$LINK: CHEMSPIDER
6544
CH$LINK: COMPTOX
DTXSID00893055
CH$LINK: INCHIKEY
NYHBQMYGNKIUIF-UUOKFMHZSA-N
CH$LINK: KAPPAVIEW
KPC00589
CH$LINK: KEGG
C00387
CH$LINK: KNAPSACK
C00019679
CH$LINK: NIKKAJI
J10.076E
CH$LINK: PUBCHEM
CID:135398635
AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.50
MS$FOCUSED_ION: PRECURSOR_M/Z 284
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-0udi-0900000000-69de32f0be4f1ea16391
PK$ANNOTATION: m/z struct. num formula mass
152.0 1 1 C5H6N5O 152.05723
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
56.5 248.06 1
57.5 137.71 1
58.4 156.37 1
59.1 109.52 1
59.9 409.70 1
61.0 85.44 1
63.0 88.76 1
99.0 142.20 1
109.1 321.24 1
110.0 631.69 1
111.1 123.37 1
112.2 90.76 1
119.0 167.68 1
121.1 92.22 1
125.0 94.05 1
126.1 84.49 1
128.0 99.54 1
134.0 25.88 1
135.0 3861.39 6
136.0 810.52 1
143.1 113.25 1
149.0 85.39 1
149.9 73.07 1
152.0 673724.89 999
153.0 2447.24 4
154.0 789.59 1
155.1 95.61 1
157.2 401.21 1
160.9 138.44 1
164.0 158.20 1
167.0 30.56 1
170.2 286.75 1
172.0 80.30 1
178.1 21.78 1
180.1 25.95 1
186.0 125.08 1
187.0 79.98 1
197.0 137.43 1
207.1 37.54 1
209.1 23.83 1
210.2 28.37 1
221.1 18.68 1
223.0 640.72 1
239.3 219.99 1
240.0 167.51 1
242.1 169.69 1
248.1 175.61 1
249.2 401.60 1
252.1 119.32 1
265.2 65.56 1
266.1 354.60 1
267.1 810.37 1
268.9 340.35 1
283.3 1401.03 2
284.1 32485.05 48
285.2 2446.00 4
286.4 146.78 1
287.3 14.32 1
//