vkmz: databases/bmrb-light.tsv comparison

comparison databases/bmrb-light.tsv @ 0:0b8ddf650752 draft

planemo upload for repository https://github.com/HegemanLab/VKMZ commit 7c299d22bdce251ce599cd34df76919d297a7007-dirty

author	eslerm
date	Wed, 02 May 2018 18:31:06 -0400
parents
children	35b984684450

comparison

equal deleted inserted replaced

--1:000000000000
+:0b8ddf650752
+Formula_mono_iso_wt_nat	Formula
+14	C6H7O6
+16.03130013	CH4
+26.01565006	C2H2
+27.01089904	CHN
+28.03130013	C2H4
+30.01056469	CH2O
+31.04219917	CH5N
+32.02621475	CH4O
+34.0218783	CH3F
+42.02179807	CH2N2
+42.04695019	C3H6
+43.00581366	CHNO
+43.04219917	C2H5N
+44.02621475	C2H4O
+45.02146372	CH3NO
+45.05784923	C2H7N
+46.00547931	CH2O2
+46.04186481	C2H6O
+48.00337082	CH4S
+53.0265491	C3H3N
+54.01056469	C3H2O
+56.02621475	C3H4O
+57.05784923	C3H7N
+58.00547931	C2H2O2
+58.04186481	C3H6O
+58.98296973	CHNS
+59.01330434	C2H3O2
+59.03711379	C2H5NO
+59.07349929	C3H9N
+60.02112937	C2H4O2
+60.03236276	CH4N2O
+60.05751488	C3H8O
+60.06874827	C2H8N2
+60.99311748	CHO3-
+61.01637835	CH3NO2
+61.05276385	C2H7NO
+61.99232781	C2H3Cl
+62.00039393	CH2O3
+62.01902088	C2H6S
+62.03677944	C2H6O2
+68.02621475	C4H4O
+68.03744814	C3H4N2
+69.05784923	C4H7N
+70.00547931	C3H2O2
+70.04186481	C4H6O
+70.0530982	C3H6N2
+71.03711379	C3H5NO
+71.07349929	C4H9N
+72.02112937	C3H4O2
+72.05751488	C4H8O
+73.05276385	C3H7NO
+73.06399724	C2H7N3
+73.08914936	C4H11N
+74.00039393	C2H2O3
+74.01565006	C6H2
+74.03677944	C3H6O2
+74.04801283	C2H6N2O
+74.07316494	C4H10O
+74.08439833	C3H10N2
+75.03202841	C2H5NO2
+75.0432618	CH5N3O
+75.06841392	C3H9NO
+75.99828544	C2H4OS
+76.00951883	CH4N2S
+76.01604399	C2H4O3
+76.02727738	CH4N2O2
+76.03467095	C3H8S
+76.0524295	C3H8O2
+77.02991992	C2H7NS
+77.03912516	C6H5
+77.0419474	C3H9S
+77.98724243	C2H3ClO
+78.01170754	C2H3FO2
+78.0139355	C2H6OS
+78.04695019	C6H6
+79.04219917	C5H5N
+80.00289249	C2H5ClO
+80.03744814	C4H4N2
+82.0530982	C4H6N2
+83.04834718	C3H5N3
+83.07349929	C5H9N
+83.95335548	CH2Cl2
+83.98233857	CHNaO3
+84.02112937	C4H4O2
+84.03236276	C3H4N2O
+84.04359615	C2H4N4
+84.05751488	C5H8O
+84.08077575	C5H10N
+84.09390039	C6H12
+85.05276385	C4H7NO
+85.08914936	C5H11N
+86.03677944	C4H6O2
+86.07316494	C5H10O
+86.08439833	C4H10N2
+86.10955045	C6H14
+87.03202841	C3H5NO2
+87.06841392	C4H9NO
+87.10479942	C5H13N
+88.01604399	C3H4O3
+88.0524295	C4H8O2
+88.06366289	C3H8N2O
+88.08881501	C5H12O
+88.1000484	C4H12N2
+89.01129297	C2H3NO3
+89.04767847	C3H7NO2
+89.05891186	C2H7N3O
+89.98724243	C3H3ClO
+89.99530855	C2H2O4
+90.0139355	C3H6OS
+90.03169406	C3H6O3
+90.04292745	C2H6N2O2
+90.05032101	C4H10S
+90.06807957	C4H10O2
+91.06332854	C3H9NO2
+91.99320006	C2H4O2S
+92.00289249	C3H5ClO
+92.04734412	C3H8O3
+92.06260026	C7H8
+93.05784923	C6H7N
+93.93770542	C2Cl2
+93.98215705	C2H3ClO2
+93.99109157	C2H6S2
+94.00885013	C2H6O2S
+94.04186481	C6H6O
+94.0530982	C5H6N2
+94.06512568	C6H8N
+95.03711379	C5H5NO
+95.94782193	CH4Se
+95.95335548	C2H2Cl2
+95.98811468	CH4O3S
+96.02112937	C5H4O2
+96.03752836	C6H5F
+96.05751488	C6H8O
+97.01637835	C4H3NO2
+97.06399724	C4H7N3
+97.96900555	C2H4Cl2
+97.97701124	C2H3KO2
+98.04801283	C4H6N2O
+98.07316494	C6H10O
+99.03202841	C4H5NO2
+99.06841392	C5H9NO
+99.10479942	C6H13N
+100.0272774	C3H4N2O2
+100.0524295	C5H8O2
+100.0636629	C4H8N2O
+100.088815	C6H12O
+101.0476785	C4H7NO2
+101.0701453	C2H7N5
+101.084064	C5H11NO
+101.1204495	C6H15N
+102.0251689	C3H6N2S
+102.0316941	C4H6O3
+102.0429274	C3H6N2O2
+102.0680796	C5H10O2
+102.079313	C4H10N2O
+102.0913404	C5H12NO
+102.1156985	C5H14N2
+103.026943	C3H5NO3
+103.0381764	C2H5N3O2
+103.0421992	C7H5N
+103.0633285	C4H9NO2
+104.0109586	C3H4O4
+104.022192	C2H4N2O3
+104.0374481	C6H4N2
+104.0473441	C4H8O3
+104.0585775	C3H8N2O2
+104.0626003	C8H8
+104.1069905	C5H14NO
+105.0326971	C5H3N3
+105.0425931	C3H7NO3
+105.06122	C4H11NS
+105.0789786	C4H11NO2
+105.9821571	C3H3ClO2
+106.0088501	C3H6O2S
+106.0266087	C3H6O4
+106.0313169	CH6N4S
+106.0418648	C7H6O
+106.0782503	C8H10
+107.0371138	C6H5NO
+107.0382566	C3H6FNO2
+107.0734993	C7H9N
+107.9410901	C2FeN2
+108.0211294	C6H4O2
+108.0575149	C7H8O
+108.0687483	C6H8N2
+109.0197492	C2H7NO2S
+109.0527639	C6H7NO
+109.0639972	C5H7N3
+109.0658271	C4H12ClN
+109.0891494	C7H11N
+109.963472	C2H6Se
+109.9690055	C3H4Cl2
+110.0367794	C6H6O2
+110.0480128	C5H6N2O
+111.0085296	CH6NO3P
+111.0320284	C5H5NO2
+111.0432618	C4H5N3O
+111.0484274	C6H6FN
+111.0796473	C5H9N3
+111.9830293	CH4O4S
+111.9925452	CH5O4P
+112.0079779	C6H5Cl
+112.016044	C5H4O3
+112.0272774	C4H4N2O2
+112.0524295	C6H8O2
+113.0476785	C5H7NO2
+113.0589119	C4H7N3O
+113.084064	C6H11NO
+113.9953086	C4H2O4
+114.0316941	C5H6O3
+114.0429274	C4H6N2O2
+114.050321	C6H10S
+114.0680796	C6H10O2
+114.079313	C5H10N2O
+114.1044651	C7H14O
+114.1408506	C8H18
+115.026943	C4H5NO3
+115.0633285	C5H9NO2
+116.0109586	C4H4O4
+116.0473441	C5H8O3
+116.0837296	C6H12O2
+116.094963	C5H12N2O
+117.0062076	C3H3NO4
+117.0425931	C4H7NO3
+117.0538265	C3H7N3O2
+117.0578492	C8H7N
+117.0789786	C5H11NO2
+117.9143832	CHCl3
+117.9902232	C3H2O5
+118.0140326	C3H4NO4
+118.0200835	C3H6N2OS
+118.0266087	C4H6O4
+118.0378421	C3H6N2O3
+118.0530982	C7H6N2
+118.0629942	C5H10O3
+118.0742276	C4H10N2O2
+118.0782503	C9H10
+118.1226406	C6H16NO
+119.0218577	C3H5NO4
+119.0404846	C4H9NOS
+119.0582432	C4H9NO3
+119.9881147	C3H4O3S
+120.0058732	C3H4O5
+120.0067416	C4H8S2
+120.0245002	C4H8O2S
+120.0422587	C4H8O4
+120.0435961	C5H4N4
+120.0575149	C8H8O
+120.0687483	C7H8N2
+120.0939004	C9H12
+120.1019051	C5H14NO2
+120.9964883	C3H5O3S-
+121.0197492	C3H7NO2S
+121.0527639	C7H7NO
+121.0738932	C4H11NO3
+121.0891494	C8H11N
+122.0367794	C7H6O2
+122.0480128	C6H6N2O
+122.0579088	C4H10O4
+122.0731649	C8H10O
+122.0843983	C7H10N2
+123.0087062	C3H6ClNO2
+123.0142699	C6H5NS
+123.0320284	C6H5NO2
+123.0432618	C5H5N3O
+123.9505508	CH5AsO2
+123.9830293	C2H4O4S
+123.9925452	C2H5O4P
+124.0016563	C3H8OS2
+124.016044	C6H4O3
+124.0524295	C7H8O2
+124.0636629	C6H8N2O
+125.0146638	C2H7NO3S
+125.0241796	C2H8NO3P
+125.0476785	C6H7NO2
+125.0589119	C5H7N3O
+125.0952974	C6H11N3
+125.1204495	C8H15N
+125.9631623	C2H6S3
+125.9718097	CH3O5P
+125.9986794	C2H6O4S
+126.0081952	C2H7O4P
+126.0236279	C7H7Cl
+126.0316941	C6H6O3
+126.0429274	C5H6N2O2
+126.0541608	C4H6N4O
+126.0653942	C3H6N6
+126.0680796	C7H10O2
+126.1044651	C8H14O
+126.9359083	C2HCl2O2-
+127.0188769	C6H6ClN
+127.026943	C5H5NO3
+127.0381764	C4H5N3O2
+127.0494098	C3H5N5O
+127.0633285	C6H9NO2
+127.0745619	C5H9N3O
+127.099714	C7H13NO
+127.1109474	C6H13N3
+127.1360996	C8H17N
+127.9028404	CH2BrCl
+127.9795702	C3H6Cl2O
+128.0028925	C6H5ClO
+128.022192	C4H4N2O3
+128.0334254	C3H4N4O2
+128.0473441	C6H8O3
+128.0585775	C5H8N2O2
+128.0626003	C10H8
+128.0837296	C7H12O2
+128.094963	C6H12N2O
+128.1201151	C8H16O
+129.017441	C3H3N3O3
+129.0360679	C4H7N3S
+129.0425931	C5H7NO3
+129.0578492	C9H7N
+129.0789786	C6H11NO2
+129.090212	C5H11N3O
+129.1014454	C4H11N5
+129.1153641	C7H15NO
+129.1517496	C8H19N
+129.9143832	C2HCl3
+130.0178556	C4H3FN2O2
+130.0266087	C5H6O4
+130.0629942	C6H10O3
+130.0742276	C5H10N2O2
+130.0993797	C7H14O2
+130.1106131	C6H14N2O
+130.1218465	C5H14N4
+130.1226406	C7H16NO
+130.1357652	C8H18O
+130.1590261	C8H20N
+131.0218577	C4H5NO4
+131.0582432	C5H9NO3
+131.0694765	C4H9N3O2
+131.0734993	C9H9N
+131.0946287	C6H13NO2
+131.1058621	C5H13N3O
+131.1422476	C6H17N3
+132.0058732	C4H4O5
+132.0171066	C3H4N2O4
+132.0245002	C5H8O2S
+132.0422587	C5H8O4
+132.0435961	C6H4N4
+132.0534921	C4H8N2O3
+132.0575149	C9H8O
+132.0647255	C3H8N4O2
+132.0687483	C8H8N2
+132.0778502	C4H10N3O2-
+132.0786443	C6H12O3
+132.0898776	C5H12N2O2
+132.0939004	C10H12
+132.9656051	C3H3NOS2
+133.0375077	C4H7NO4
+133.0487411	C3H7N3O3
+133.0527639	C8H7NO
+133.0561347	C5H11NOS
+133.0639972	C7H7N3
+133.0891494	C9H11N
+133.9441641	C3FeN3
+134.0215233	C4H6O5
+134.0327567	C3H6N2O4
+134.0401503	C5H10O2S
+134.0579088	C5H10O4
+134.0592462	C6H6N4
+134.0691422	C4H10N2O3
+134.0731649	C9H10O
+134.0877692	C5H14N2S
+134.1095504	C10H14
+135.0353992	C4H9NO2S
+135.0531578	C4H9NO4
+135.0544952	C5H5N5
+135.0684139	C8H9NO
+135.1047994	C9H13N
+136.0194148	C4H8O3S
+136.0371734	C4H8O5
+136.0385108	C5H4N4O
+136.0524295	C8H8O2
+136.0735589	C5H12O4
+136.0748963	C6H8N4
+136.088815	C9H12O
+136.1000484	C8H12N2
+136.1252005	C10H16
+137.0476785	C7H7NO2
+137.0589119	C6H7N3O
+137.0709393	C7H9N2O
+137.084064	C8H11NO
+138.0081952	C3H7O4P
+138.0177753	C4H2N4O2
+138.0316941	C7H6O3
+138.0429274	C6H6N2O2
+138.0680796	C8H10O2
+138.079313	C7H10N2O
+138.0905463	C6H10N4
+138.1044651	C9H14O
+139.026943	C6H5NO3
+139.0303139	C3H9NO3S
+139.0398297	C3H10NO3P
+139.0633285	C7H9NO2
+139.0745619	C6H9N3O
+139.099714	C8H13NO
+139.1360996	C9H17N
+139.9454654	CH5AsO3
+139.9779439	C2H4O5S
+139.9874598	C2H5O5P
+140.0028925	C7H5ClO
+140.0109586	C6H4O4
+140.0238453	C3H9O4P
+140.0273576	C7H5FO2
+140.0402443	C4H10FO2P
+140.0473441	C7H8O3
+140.0585775	C6H8N2O2
+140.0837296	C8H12O2
+140.9827088	CH4NO5P
+141.0062076	C5H3NO4
+141.0190943	C2H8NO4P
+141.0425931	C6H7NO3
+141.0789786	C7H11NO2
+141.090212	C6H11N3O
+141.1153641	C8H15NO
+141.1517496	C9H19N
+141.9758354	C2H6O3S2
+142.0088501	C6H6O2S
+142.0185426	C7H7ClO
+142.0266087	C6H6O4
+142.0378421	C5H6N2O3
+142.0629942	C7H10O3
+142.0742276	C6H10N2O2
+142.0782503	C11H10
+142.0993797	C8H14O2
+142.1226406	C8H16NO
+143.0404846	C6H9NOS
+143.0443244	C3H5N5O2
+143.0582432	C6H9NO3
+143.0734993	C10H9N
+143.0946287	C7H13NO2
+143.1310142	C8H17NO
+143.9978071	C6H5ClO2
+144.0341926	C7H9ClO
+144.0422587	C6H8O4
+144.0575149	C10H8O
+144.0608857	C7H12OS
+144.0786443	C7H12O3
+144.0898776	C6H12N2O2
+144.101111	C5H12N4O
+144.1019051	C7H14NO2
+144.1150298	C8H16O2
+144.1382906	C8H18NO
+144.9930561	C5H4ClNO2
+145.0155229	C3H4ClN5
+145.0197492	C5H7NO2S
+145.0375077	C5H7NO4
+145.0527639	C9H7NO
+145.0738932	C6H11NO3
+145.0851266	C5H11N3O2
+145.1215121	C6H15N3O
+145.1578976	C7H19N3
+145.9092978	C2HCl3O
+145.9456833	C3H5Cl3
+145.9690055	C6H4Cl2
+145.9995384	C3H3ClN4O
+146.0134572	C6H7ClO2
+146.0149981	C4H6N2O2S
+146.0215233	C5H6O5
+146.0223917	C6H10S2
+146.0327567	C4H6N2O4
+146.0367794	C9H6O2
+146.0401503	C6H10O2S
+146.0480128	C8H6N2O
+146.0579088	C6H10O4
+146.0691422	C5H10N2O3
+146.0843983	C9H10N2
+146.1055277	C6H14N2O2
+146.1175552	C7H16NO2
+146.1306798	C8H18O2
+146.1531466	C6H18N4
+146.983554	C3H2ClN3O2
+147.0320284	C8H5NO2
+147.0353992	C5H9NO2S
+147.0531578	C5H9NO4
+147.0643912	C4H9N3O3
+147.0684139	C9H9NO
+147.0895433	C6H13NO3
+147.1047994	C10H13N
+147.9249478	C2H3Cl3O
+147.9846556	C6H6Cl2
+147.9927217	C5H5ClO3
+148.0007879	C4H4O6
+148.0194148	C5H8O3S
+148.0371734	C5H8O5
+148.0484068	C4H8N2O4
+148.0524295	C9H8O2
+148.0735589	C6H12O4
+148.088815	C10H12O
+148.1000484	C9H12N2
+149.0243562	C5H8ClNO2
+149.0299199	C8H7NS
+149.0324223	C4H7NO5
+149.0332907	C5H11NS2
+149.0476785	C8H7NO2
+149.0510493	C5H11NO2S
+149.0701453	C6H7N5
+149.084064	C9H11NO
+149.1051934	C6H15NO3
+149.1204495	C10H15N
+149.9809208	C4H6O2S2
+150.0164379	C4H6O6
+150.0316941	C8H6O3
+150.0528234	C5H10O5
+150.0536918	C6H14S2
+150.0680796	C9H10O2
+150.1044651	C10H14O
+151.0188769	C8H6ClN
+151.026943	C7H5NO3
+151.0494098	C5H5N5O
+151.0633285	C8H9NO2
+151.0857953	C6H9N5
+151.099714	C9H13NO
+151.1360996	C10H17N
+151.9779439	C3H4O5S
+151.9874598	C3H5O5P
+151.9965709	C4H8O2S2
+152.0156668	C5H4N4S
+152.0334254	C5H4N4O2
+152.0449388	C6H9NaO3
+152.0473441	C8H8O3
+152.0585775	C7H8N2O2
+152.0684735	C5H12O5
+152.0837296	C9H12O2
+152.1201151	C10H16O
+152.9918199	C3H7NO2S2
+153.0095784	C3H7NO4S
+153.0425931	C7H7NO3
+153.0554798	C4H12NO3P
+153.0789786	C8H11NO2
+153.090212	C7H11N3O
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Mercurial > repos > eslerm > vkmz

comparison databases/bmrb-light.tsv @ 0:0b8ddf650752 draft