##TITLE=NP0000316, Submission ID 466, Experimental spectrum ##JCAMP-DX=4.24 ##ORIGIN=NP-MRD ##OWNER=NP-MRD ##DATA TYPE=LINK ##DATE=22/01/20 ##TIME=19:55:18 ##LONG DATE=2022/01/20 19:55:18 ##TITLE=Formic acid ##JCAMP-CS=3.7 ##ORIGIN=NP-MRD ##OWNER=NP-MRD ##DATE=22/01/20 ##TIME=19:55:18 ##BLOCK_ID=1 ##CROSS REFERENCE=NMR PEAK ASSIGNMENTS:BLOCK_ID=4 ##LONG DATE=2022/01/20 19:55:18 ##MOLFORM=C H2 O2 ##ATOMLIST= 1 O 0 2 C 0 3 O 0 4 H 0 5 H 0 ##BONDLIST= 1 2 D 2 3 S 2 4 S 3 5 S ##$MOLFILE= RDKit 3D 5 4 0 0 0 0 0 0 0 0999 V2000 -1.2602 -0.8044 -0.3281 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4377 0.0346 0.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9063 -0.3072 0.2167 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8041 1.0005 0.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5957 0.0766 -0.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 3 5 1 0 M END ##END= ##TITLE=Experimental spectrum ##JCAMP-DX=5.01 ##ORIGIN=NP-MRD ##OWNER=NP-MRD ##DATA TYPE=NMR SPECTRUM ##BLOCK_ID=2 ##DATE=22/01/20 ##TIME=19:55:18 ##TEMPERATURE=NA ##LONG DATE=2022/01/20 19:55:18 ##.OBSERVE FREQUENCY=700.0 ##.OBSERVE NUCLEUS=1H ##.SOLVENT NAME=H2O ##.SHIFT REFERENCE=INTERNAL,DSS,58890.00,0 ##XUNITS=PPM ##FIRSTX=10.800733229966022 ##LASTX=-1.218727667059336 ##MINX=-1.218727667059336 ##MAXX=10.800733229966022 ##XFACTOR=0.00018340521701354362 ##NPOINTS=65536 ##YUNITS=ARBITRARY UNITS ##FIRSTY=-0.012529683392520863 ##LASTY=0.0006467560056987812 ##MINY=-8.853268724360042 ##MAXY=10000.0 ##YFACTOR=0.3051850947599719 ##XYDATA=(X++(Y..Y)), XYDATA $$ DIF 58890@%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 58816@%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 58742@%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 58668@%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 58594@%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 58520@%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 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PEAK ASSIGNMENTS ##DATA CLASS=PEAK ASSIGNMENTS ##BLOCK_ID=4 ##CROSS REFERENCE=STRUCTURE:BLOCK_ID=1 ##DATE=22/01/20 ##TIME=19:55:18 ##TEMPERATURE=NA ##LONG DATE=2022/01/20 19:55:18 ##SOURCE REFERENCE=PMID 21246355 ##.OBSERVE FREQUENCY=700.0 ##.OBSERVE NUCLEUS=1H ##.SOLVENT NAME=H2O ##NPOINTS=1 ##XUNITS=PPM ##PEAK ASSIGNMENTS=(XMA) (8.44, , <4>) ##END= ##END=