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MassBank Record: KO000841

Guanosine; LC-ESI-QQ; MS2; CE:40 V; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO000841
RECORD_TITLE: Guanosine; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, 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$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 282
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0zgi-0900000000-5de849ca7144ca8afe05
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  66.300 29703.0 2
  77.900 54455.5 4
  79.500 24752.5 2
  79.900 108911.0 7
  82.100 247525.0 16
  89.900 84158.5 6
  92.800 19802.0 1
  96.100 24752.5 2
  98.100 24752.5 2
  104.900 79208.0 5
  105.800 69307.0 5
  107.300 1886140.5 123
  108.100 6004956.5 393
  120.800 49505.0 3
  133.000 13925756.5 912
  150.200 15257441.0 999
  163.700 49505.0 3
  164.500 29703.0 2
  173.900 19802.0 1
//

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