ACCESSION: MSBNK-RIKEN-PR010127
RECORD_TITLE: 2'-Deoxyadenosine 5'-monophosphate; GC-EI-TOF; MS; 6 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$NAME: 2'-Deoxyadenosine 5'-monophosphate
CH$NAME: 2'-Deoxyadenosine 5'-phosphate
CH$NAME: Deoxyadenosine monophosphate
CH$NAME: Deoxyadenylic acid
CH$NAME: dAMP
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₀H₁₄N₅O₆P
CH$EXACT_MASS: 331.06817
CH$SMILES: O[C@@H](C1)[C@@H](COP(O)(O)=O)O[C@H]1n(c3)c(n2)c(n3)c(N)nc2
CH$IUPAC: InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1
CH$LINK: CAS 653-63-4
CH$LINK: CHEBI 17713
CH$LINK: KEGG C00360
CH$LINK: NIKKAJI J205.943F
CH$LINK: PUBCHEM 3651
CH$LINK: INCHIKEY KHWCHTKSEGGWEX-RRKCRQDMSA-N

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$CHROMATOGRAPHY: RETENTION_INDEX 3077.7
AC$CHROMATOGRAPHY: RETENTION_TIME 656.307 sec

MS$FOCUSED_ION: BASE_PEAK 81
MS$FOCUSED_ION: DERIVATIVE_FORM C28H62N5O6PSi6
MS$FOCUSED_ION: DERIVATIVE_MASS 763.30533
MS$FOCUSED_ION: DERIVATIVE_TYPE 6 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-001i-9210000000-52089369f69d88f5ea1c
PK$NUM_PEAK: 172
PK$PEAK: m/z int. rel.int.
  60 3 3
  61 4 4
  63 1 1
  65 1 1
  66 1 1
  67 1 1
  70 3 3
  71 4 4
  72 8 8
  73 360 360
  74 38 38
  75 31 31
  76 3 3
  77 12 12
  79 2 2
  80 2 2
  81 999 999
  82 59 59
  83 5 5
  84 12 12
  85 11 11
  86 3 3
  87 2 2
  88 1 1
  89 2 2
  91 1 1
  92 1 1
  93 1 1
  95 1 1
  96 1 1
  97 2 2
  98 2 2
  99 9 9
  100 3 3
  101 11 11
  102 1 1
  103 8 8
  104 1 1
  105 1 1
  107 1 1
  108 1 1
  109 3 3
  110 2 2
  111 9 9
  112 1 1
  113 4 4
  115 3 3
  116 1 1
  117 2 2
  119 2 2
  121 1 1
  122 1 1
  123 2 2
  124 1 1
  125 1 1
  127 10 10
  128 2 2
  129 15 15
  130 2 2
  131 2 2
  133 18 18
  134 3 3
  135 9 9
  136 5 5
  137 5 5
  138 3 3
  139 1 1
  141 1 1
  142 19 19
  143 7 7
  144 1 1
  145 1 1
  147 12 12
  148 2 2
  149 3 3
  150 1 1
  151 4 4
  152 1 1
  153 1 1
  155 7 7
  156 1 1
  157 1 1
  162 3 3
  163 1 1
  164 6 6
  165 20 20
  166 4 4
  167 2 2
  169 5 5
  170 15 15
  171 8 8
  172 1 1
  176 3 3
  177 2 2
  178 1 1
  179 1 1
  180 3 3
  181 5 5
  182 1 1
  183 2 2
  189 1 1
  190 1 1
  191 4 4
  192 84 84
  193 16 16
  194 4 4
  195 4 4
  196 1 1
  197 1 1
  204 1 1
  205 2 2
  206 15 15
  207 29 29
  208 34 34
  209 6 6
  210 2 2
  211 32 32
  212 5 5
  213 3 3
  218 10 10
  219 2 2
  220 2 2
  221 4 4
  222 1 1
  225 5 5
  226 1 1
  227 7 7
  228 1 1
  229 1 1
  232 1 1
  233 3 3
  234 4 4
  235 5 5
  236 17 17
  237 3 3
  243 2 2
  246 1 1
  253 2 2
  260 1 1
  264 3 3
  277 1 1
  278 2 2
  279 3 3
  280 1 1
  285 1 1
  286 1 1
  288 4 4
  289 1 1
  294 1 1
  299 14 14
  300 4 4
  301 1 1
  314 1 1
  315 35 35
  316 9 9
  317 4 4
  318 1 1
  323 14 14
  324 3 3
  325 1 1
  334 1 1
  335 1 1
  336 1 1
  349 3 3
  350 1 1
  362 1 1
  377 2 2
  378 3 3
  387 1 1
  397 1 1
  604 2 2
  605 1 1
//