ACCESSION: MSBNK-NAIST-KNA00776
RECORD_TITLE: Guanosine; LC-ESI-ITFT; MS; NEG
DATE: 2016.01.19 (Created 2009.11.19, modified 2011.08.03)
AUTHORS: Takahashi H, Kanaya S, Ogasawara N, Graduate School of Information Science, NAIST
LICENSE: CC BY-SA
CH$NAME: Guanosine
CH$COMPOUND_CLASS: Natural Product
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$INSTRUMENT: LTQ Orbitrap XL, Thermo Scientfic
AC$INSTRUMENT_TYPE: LC-ESI-ITFT
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35eV
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: COLUMN_NAME TOSOH TSKgel ODS-100V 5um Part no. 21456
AC$CHROMATOGRAPHY: FLOW_GRADIENT 0min:3%, 45min:97%, 50min:97%, 50.1:3%, 57min:3% (acetonitrile)
AC$CHROMATOGRAPHY: FLOW_RATE 0.5 ml/min
AC$CHROMATOGRAPHY: RETENTION_TIME 5.497518 min
AC$CHROMATOGRAPHY: SOLVENT A 0.1%formate-water
AC$CHROMATOGRAPHY: SOLVENT B 0.1%formate-acetonitrile
MS$FOCUSED_ION: BASE_PEAK 282.084259
PK$SPLASH: splash10-0f89-0690030010-cb438c09ae77b11ac544
PK$NUM_PEAK: 238
PK$PEAK: m/z int. rel.int.
107.036514 50201.042969 9
108.020506 60845.871094 10
112.985627 7842.771484 1
126.028544 2997.097168 1
126.031217 172653.078125 29
126.033356 4640.375977 1
127.034239 3914.582031 1
132.025267 4959.311035 1
132.027846 8470.311523 1
132.030426 302999.437500 52
132.032719 8653.484375 1
133.010659 5635.256348 1
133.012977 9105.604492 2
133.015586 315725.312500 54
133.018194 9491.222656 2
133.020803 3379.954590 1
133.033268 7836.398438 1
134.012399 3206.848877 1
134.018848 11962.902344 2
139.007160 11173.886719 2
140.046531 36823.628906 6
143.034969 3090.502930 1
149.034535 5175.694824 1
149.945827 9028.619141 2
150.010024 19197.699219 3
150.014537 3431.694092 1
150.015578 4079.409180 1
150.021480 3819.044922 1
150.024952 4889.354492 1
150.027729 3698.990479 1
150.028424 4928.044922 1
150.029812 7115.895508 1
150.031201 7546.818848 1
150.032590 18236.914063 3
150.035715 37681.269531 6
150.037104 7653.795898 1
150.038840 83109.718750 14
150.041965 3273895.000000 559
150.044743 91076.804688 16
150.046479 10992.629883 2
150.047868 34507.042969 6
150.050646 18413.474609 3
150.052730 7941.741699 1
150.054813 6637.015137 1
150.056550 2929.826904 1
150.057591 2954.783203 1
150.058633 4642.644043 1
150.060370 3658.528320 1
150.063843 3947.864746 1
150.068705 4701.248535 1
150.073915 19502.255859 3
150.137847 8245.300781 1
151.025976 10484.189453 2
151.038951 43715.632813 7
151.042107 3718.971436 1
151.045263 142852.171875 24
151.048069 3172.443115 1
152.046261 3773.585693 1
158.925111 3161.015381 1
164.057411 8264.245117 1
192.052379 18940.644531 3
196.047374 5738.667969 1
211.001177 4620.017578 1
272.956860 7628.049805 1
275.017530 4762.184082 1
281.672578 2936.528809 1
281.836987 12226.924805 2
282.001540 25914.093750 4
282.014067 5417.944336 1
282.016751 6423.939453 1
282.020330 3222.712891 1
282.023909 3256.553223 1
282.026594 3820.569824 1
282.029278 3902.296875 1
282.031068 4561.471680 1
282.038227 5777.292969 1
282.040017 7505.476074 1
282.047176 5032.315918 1
282.049861 7052.887695 1
282.052545 10605.130859 2
282.057020 10040.833008 2
282.060600 26446.757813 5
282.065075 11523.824219 2
282.068655 49953.031250 9
282.072235 11675.202148 2
282.076711 103368.445313 18
282.083871 5847300.000000 999
282.091927 118999.515625 20
282.096403 16655.472656 3
282.099984 46180.550781 8
282.107145 26997.611328 5
282.111621 11729.579102 2
282.114307 6926.844238 1
282.117888 9342.528320 2
282.122364 3747.544189 1
282.125050 4486.727051 1
282.128631 6421.444824 1
282.131317 5623.612793 1
282.136689 4658.548340 1
282.141166 5372.108887 1
282.148329 3463.647705 1
282.152806 6965.291992 1
282.159074 3642.416504 1
282.167133 25025.488281 4
282.182357 3150.199951 1
282.331976 10969.107422 2
283.062961 2958.254150 1
283.071959 4157.801758 1
283.081857 48827.507813 8
283.087256 634813.812500 108
284.083339 4171.865723 1
284.086958 24984.048828 4
284.090577 14088.041016 2
285.091055 4077.891602 1
318.060358 95894.296875 16
319.063678 9274.387695 2
320.057689 28523.578125 5
328.089889 85269.937500 15
329.092571 9200.261719 2
338.019458 4411.319824 1
340.042114 2964.179932 1
345.080175 28117.035156 5
346.054752 3587.943848 1
350.071348 28983.501953 5
351.074617 3266.540771 1
354.013518 3828.312500 1
356.083874 48109.078125 8
357.087621 3970.054688 1
374.094791 45114.179688 8
375.098833 4869.930664 1
380.051378 21297.433594 4
380.059777 4976.949219 1
382.008828 13645.266602 2
388.111418 4967.742188 1
390.016561 9626.902344 2
396.077407 10283.723633 2
398.053579 5133.768555 1
408.011880 13334.174805 2
412.041627 4547.239746 1
415.121221 169567.031250 29
416.124955 17561.144531 3
422.098340 7250.047363 1
426.021620 7399.973633 1
427.006820 4702.293457 1
428.013842 3430.050537 1
437.103159 8283.289063 1
469.040157 5131.003418 1
494.092597 5235.333984 1
504.939618 4960.124023 1
522.951509 4827.438477 1
540.054618 6448.552734 1
564.943072 5306.229492 1
565.108008 6061.240723 1
565.115623 4212.659668 1
565.130851 10902.657227 2
565.153696 25096.542969 4
565.176542 1908872.375000 326
565.196850 27843.337891 5
565.209544 3677.112793 1
565.219699 9753.387695 2
565.240009 5679.954590 1
565.410156 5505.586426 1
566.134773 3961.112793 1
566.155133 5752.440430 1
566.178040 393222.562500 67
566.200947 5648.468750 1
567.182202 39361.382813 7
568.183920 3821.468262 1
587.159179 61924.148438 11
588.160406 12117.278320 2
589.134478 5328.549316 1
601.153769 76367.492188 13
602.157518 13013.960938 2
603.149790 20135.068359 3
604.152934 3352.166748 1
611.182731 185049.359375 32
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618.086193 7433.236816 1
619.094830 8336.007813 1
620.021342 103068.734375 18
621.023026 15269.794922 3
628.171690 14626.790039 2
639.177209 5213.532227 1
643.979055 5715.401855 1
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655.097078 3701.513916 1
657.186483 26351.015625 5
658.190270 5495.299316 1
661.990312 25676.037109 4
662.992228 3503.676025 1
663.143841 11777.342773 2
664.093409 2944.961914 1
665.100105 7616.730469 1
671.205061 5951.713867 1
679.169990 4110.777344 1
698.214300 115257.710938 20
699.215758 20332.140625 3
700.219373 4240.128418 1
742.068168 132729.578125 23
743.069798 22368.875000 4
744.077292 6035.926270 1
812.032561 3783.440918 1
848.184134 4054.590820 1
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848.235473 7665.504395 1
848.268146 956069.625000 163
848.305489 12629.488281 2
848.352171 4045.609863 1
849.272588 272021.125000 46
849.309997 3376.373291 1
850.274130 44644.476563 8
851.272752 6311.041992 1
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916.257248 4921.802734 1
940.283731 5036.173340 1
946.238640 3156.401855 1
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982.312467 6807.209473 1
1025.161423 23115.814453 4
1026.160577 8097.449707 1
1131.361593 205379.921875 35
1132.361606 73642.343750 13
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//
