MassBank Record: PR010127



 2'-Deoxyadenosine 5'-monophosphate; GC-EI-TOF; MS; 6 TMS; BP:81 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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$LINK: PUBCHEM 3651
AC$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 //