MassBank Record: PR100739



 Cytidine-3'-monophosphate; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR100739
RECORD_TITLE: Cytidine-3'-monophosphate; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
DATE: 2016.01.19 (2010.06.21, 2011.05.06)
AUTHORS: Matsuda FPlant Science Center, RIKEN., Suzuki MPlant Science Center, RIKEN., Sawada YPlant Science Center, RIKEN., Plant Science Center, RIKEN.
LICENSE: CC BY-SA
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: Cytidine-3'-monophosphate CH$NAME: CMP CH$NAME: 3'-CMP CH$NAME: 3'-Cytidylic acid CH$NAME: 3'-cytosylic acid CH$NAME: 4-Amino-1-beta-D-ribofuranosyl-2(H)-pyrimidinone 3'-dihydrogen phosphate CH$COMPOUND_CLASS: Natural Product; Nucleoside; Phosphates CH$FORMULA: C9H14N3O8P CH$EXACT_MASS: 323.05185 CH$SMILES: OC[C@@H](O1)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H]1N(C=2)C(=O)N=C(N)C2 CH$IUPAC: InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 CH$LINK: CAS 84-52-6 CH$LINK: CHEMSPIDER 59906 CH$LINK: KAPPAVIEW KPC00391 CH$LINK: KEGG C05822 CH$LINK: PUBCHEM CID:66535 CH$LINK: INCHIKEY UOOOPKANIPLQPU-XVFCMESISA-N
AC$INSTRUMENT: UPLC Q-Tof Premier, Waters AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-60 V AC$MASS_SPECTROMETRY: DATAFORMAT Continuum AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 400 C AC$MASS_SPECTROMETRY: FRAGMENTATION_METHOD LOW-ENERGY CID AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE 120 C AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE 3.0 kV AC$CHROMATOGRAPHY: SAMPLING_CONE 23.0 V AC$CHROMATOGRAPHY: SOLVENT CH3CN(0.1%HCOOH)/ H2O(0.1%HCOOH)
MS$FOCUSED_ION: PRECURSOR_M/Z 322.04405 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-01t9-9053000000-98586caa88a9542b6869 PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 78.9601 1503 999 96.9702 426.3 283 110.0364 203.9 136 211.0008 1081 719 322.0440 723.1 481 //