ACCESSION: MSBNK-RIKEN-PR010192
RECORD_TITLE: 2'-Deoxyinosine 5'-monophosphate; GC-EI-TOF; MS; 4 TMS; BP:81
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: 2'-Deoxyinosine 5'-monophosphate
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₀H₁₃N₄O₇P
CH$EXACT_MASS: 332.05219
CH$SMILES: OC(C1)C(COP(O)(O)=O)OC1n(c3)c(N2)c(n3)C(=O)N=C2
CH$IUPAC: InChI=1S/C10H13N4O7P/c15-5-1-7(21-6(5)2-20-22(17,18)19)14-4-13-8-9(14)11-3-12-10(8)16/h3-7,15H,1-2H2,(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1
CH$LINK: CAS 14999-52-1
CH$LINK: NIKKAJI J150.303K
CH$LINK: INCHIKEY PHNGFPPXDJJADG-RRKCRQDMSA-N
CH$LINK: COMPTOX DTXSID60937065

AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
AC$INSTRUMENT_TYPE: GC-EI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$CHROMATOGRAPHY: RETENTION_INDEX 2984.7
AC$CHROMATOGRAPHY: RETENTION_TIME 691.275 sec

MS$FOCUSED_ION: BASE_PEAK 81
MS$FOCUSED_ION: DERIVATIVE_FORM C22H45N4O7PSi4
MS$FOCUSED_ION: DERIVATIVE_MASS 620.21029
MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-001i-9210000000-53948c1a90a0f6914597
PK$NUM_PEAK: 217
PK$PEAK: m/z int. rel.int.
  60 5 5
  61 9 9
  62 1 1
  63 1 1
  65 2 2
  66 2 2
  67 2 2
  70 6 6
  71 5 5
  72 15 15
  73 458 458
  74 43 43
  75 50 50
  76 4 4
  77 17 17
  80 3 3
  81 999 999
  82 59 59
  83 6 6
  84 14 14
  85 10 10
  86 4 4
  87 2 2
  88 1 1
  89 4 4
  90 1 1
  91 2 2
  92 2 2
  93 2 2
  94 1 1
  95 2 2
  96 1 1
  97 4 4
  98 4 4
  99 8 8
  100 4 4
  101 14 14
  102 2 2
  103 12 12
  104 1 1
  105 2 2
  106 1 1
  107 2 2
  108 1 1
  109 2 2
  110 8 8
  111 12 12
  112 3 3
  113 5 5
  114 1 1
  115 6 6
  116 2 2
  117 4 4
  118 1 1
  119 6 6
  120 2 2
  121 2 2
  122 1 1
  123 2 2
  124 2 2
  125 3 3
  126 1 1
  127 11 11
  128 2 2
  129 19 19
  130 2 2
  131 4 4
  132 1 1
  133 28 28
  134 5 5
  135 10 10
  136 3 3
  137 8 8
  138 10 10
  139 4 4
  140 1 1
  141 2 2
  142 13 13
  143 7 7
  144 1 1
  145 2 2
  146 1 1
  147 13 13
  148 3 3
  149 2 2
  150 2 2
  151 4 4
  152 2 2
  153 2 2
  154 1 1
  155 11 11
  156 2 2
  157 2 2
  158 1 1
  159 1 1
  160 1 1
  162 1 1
  163 4 4
  164 2 2
  165 4 4
  166 10 10
  167 4 4
  168 1 1
  169 8 8
  170 20 20
  171 10 10
  172 2 2
  173 1 1
  174 1 1
  175 1 1
  176 1 1
  177 4 4
  178 2 2
  179 3 3
  180 2 2
  181 8 8
  182 1 1
  183 3 3
  184 1 1
  185 1 1
  187 1 1
  189 1 1
  190 1 1
  191 2 2
  192 5 5
  193 95 95
  194 15 15
  195 11 11
  196 1 1
  197 3 3
  203 1 1
  205 2 2
  206 2 2
  207 16 16
  208 6 6
  209 54 54
  210 9 9
  211 58 58
  212 9 9
  213 6 6
  214 1 1
  217 1 1
  219 10 10
  220 2 2
  221 2 2
  222 2 2
  223 1 1
  225 8 8
  226 2 2
  227 16 16
  228 3 3
  229 1 1
  231 1 1
  233 1 1
  234 2 2
  235 3 3
  236 1 1
  237 2 2
  239 1 1
  241 1 1
  243 12 12
  244 2 2
  245 2 2
  247 1 1
  253 3 3
  254 1 1
  255 1 1
  259 1 1
  261 1 1
  265 2 2
  267 1 1
  269 1 1
  275 1 1
  279 2 2
  280 1 1
  281 5 5
  282 2 2
  283 2 2
  285 3 3
  287 1 1
  289 11 11
  290 2 2
  291 1 1
  294 1 1
  298 2 2
  299 27 27
  300 8 8
  301 4 4
  302 1 1
  307 1 1
  309 1 1
  313 1 1
  314 2 2
  315 39 39
  316 11 11
  317 6 6
  318 1 1
  322 1 1
  323 16 16
  324 4 4
  325 1 1
  335 2 2
  336 2 2
  337 1 1
  349 1 1
  350 3 3
  351 1 1
  363 1 1
  365 1 1
  378 4 4
  379 2 2
  380 1 1
  396 1 1
  397 2 2
  398 1 1
  605 1 1
  606 1 1
//