ACCESSION: MSBNK-RIKEN-PR010165
RECORD_TITLE: Hypoxanthine; GC-EI-TOF; MS; 2 TMS; BP:73
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$NAME: Hypoxanthine
CH$NAME: Purine-6-ol
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₅H₄N₄O
CH$EXACT_MASS: 136.03851
CH$SMILES: C1=NC2=C(N1)C(=O)N=CN2
CH$IUPAC: InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
CH$LINK: CAS 68-94-0
CH$LINK: CHEBI 17368
CH$LINK: CHEMPDB HPA
CH$LINK: KEGG C00262
CH$LINK: NIKKAJI J1.934H
CH$LINK: PUBCHEM 3560
CH$LINK: INCHIKEY FDGQSTZJBFJUBT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8045983

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$CHROMATOGRAPHY: RETENTION_INDEX 1806.8
AC$CHROMATOGRAPHY: RETENTION_TIME 476.908 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C11H20N4OSi2
MS$FOCUSED_ION: DERIVATIVE_MASS 280.11756
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-9340000000-1184c503fb61344c4853
PK$NUM_PEAK: 166
PK$PEAK: m/z int. rel.int.
  60 13 13
  61 15 15
  62 3 3
  63 4 4
  64 6 6
  65 14 14
  66 20 20
  67 8 8
  68 2 2
  69 13 13
  70 65 65
  71 26 26
  72 68 68
  73 999 999
  74 99 99
  75 70 70
  76 8 8
  77 39 39
  78 11 11
  79 46 46
  80 8 8
  81 7 7
  82 5 5
  83 8 8
  84 168 168
  85 53 53
  86 28 28
  87 7 7
  88 2 2
  89 3 3
  90 2 2
  91 3 3
  92 6 6
  93 9 9
  94 6 6
  95 23 23
  96 12 12
  97 9 9
  98 19 19
  99 22 22
  100 49 49
  101 9 9
  102 5 5
  103 3 3
  104 1 1
  105 2 2
  106 2 2
  107 4 4
  108 2 2
  109 4 4
  110 19 19
  111 35 35
  112 14 14
  113 5 5
  114 3 3
  115 5 5
  116 3 3
  117 5 5
  118 2 2
  119 5 5
  120 1 1
  121 2 2
  122 3 3
  123 20 20
  124 12 12
  125 44 44
  126 7 7
  127 2 2
  128 6 6
  129 1 1
  130 4 4
  131 26 26
  132 8 8
  133 9 9
  134 2 2
  135 1 1
  136 4 4
  137 4 4
  138 13 13
  139 11 11
  140 3 3
  141 3 3
  142 3 3
  143 3 3
  144 2 2
  147 32 32
  148 8 8
  149 3 3
  150 7 7
  151 4 4
  152 13 13
  153 7 7
  154 3 3
  155 2 2
  156 3 3
  157 3 3
  158 30 30
  159 7 7
  160 2 2
  163 3 3
  164 3 3
  165 12 12
  166 41 41
  167 8 8
  168 3 3
  169 2 2
  170 3 3
  171 3 3
  172 33 33
  173 15 15
  174 4 4
  175 2 2
  177 9 9
  178 2 2
  179 4 4
  180 11 11
  181 30 30
  182 6 6
  183 3 3
  184 1 1
  185 1 1
  191 10 10
  192 12 12
  193 41 41
  194 7 7
  195 3 3
  196 1 1
  197 5 5
  198 1 1
  205 2 2
  206 54 54
  207 30 30
  208 13 13
  209 3 3
  210 1 1
  211 6 6
  212 2 2
  213 1 1
  221 1 1
  222 7 7
  223 6 6
  224 4 4
  225 1 1
  235 4 4
  236 2 2
  237 3 3
  238 16 16
  239 8 8
  240 3 3
  249 10 10
  250 3 3
  251 2 2
  252 2 2
  253 1 1
  263 1 1
  264 7 7
  265 410 410
  266 99 99
  267 39 39
  268 6 6
  269 1 1
  279 15 15
  280 134 134
  281 34 34
  282 12 12
  283 2 2
//