MassBank Record: PT205890

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(2-hydroxy-3-oxopropyl) dihydrogen phosphate, DL-Glyceraldehyde 3-phosphate solution, Glyceraldehyde-3P; LC-ESI-QTOF; MS2
Mass Spectrum
Chemical Structure
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metabolomics-usi visualisation

ACCESSION: PT205890
RECORD_TITLE: (2-hydroxy-3-oxopropyl) dihydrogen phosphate, DL-Glyceraldehyde 3-phosphate solution, Glyceraldehyde-3P; LC-ESI-QTOF; MS2
DATE: 2008.07.28
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC-BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: (2-hydroxy-3-oxopropyl) dihydrogen phosphate CH$NAME: DL-Glyceraldehyde 3-phosphate solution CH$NAME: Glyceraldehyde-3P CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Suger phosphate CLASS3 Glyceraldehyde phosphate CH$FORMULA: C3H7O6P CH$EXACT_MASS: 170.059 CH$SMILES: C(C(C=O)O)OP(=O)(O)O CH$IUPAC: InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8) CH$LINK: CAS 591-59-3 CH$LINK: INCHIKEY LXJXRIRHZLFYRP-UHFFFAOYSA-N
AC$INSTRUMENT: Q-Tof Premier, Waters AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O
MS$FOCUSED_ION: ION_TYPE [M-H]- MS$FOCUSED_ION: PRECURSOR_M/Z 168.99023
PK$SPLASH: splash10-002b-9000000000-6e7cef3b048204ad747c PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 78.96 61.17 640 79.3471 1.012 11 96.8608 1.005 11 96.9053 0.9788 10 96.9364 1.258 13 96.9696 95.51 999 97.0702 1.278 13 97.145 1.446 15 97.4832 1.017 11 97.8412 1.171 12 97.9124 1.155 12 98.0524 1.338 14 98.1009 1.028 11 98.9025 1.046 11 150.983 5.542 58 168.9902 1.961 21 //