ACCESSION: MSBNK-Kazusa-KZ000035
RECORD_TITLE: Hypoxanthine; GC-EI-TOF; MS; 2 TMS; BP:265
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01522_P000138

CH$NAME: Hypoxanthine
CH$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: KEGG C00262
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$CHROMATOGRAPHY: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 2069.1
AC$CHROMATOGRAPHY: RETENTION_TIME 946.263 sec

MS$FOCUSED_ION: BASE_PEAK 265
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-0159-3970000000-0d844fae4a1ffe158823
PK$NUM_PEAK: 177
PK$PEAK: m/z int. rel.int.
  82 17 17
  83 27 27
  84 486 486
  85 166 166
  86 89 89
  87 26 26
  88 8 8
  89 12 12
  90 9 9
  91 13 13
  92 23 23
  93 37 37
  94 22 22
  95 82 82
  96 44 44
  97 33 33
  98 72 72
  99 79 79
  100 165 165
  101 34 34
  102 19 19
  103 15 15
  104 6 6
  105 8 8
  106 10 10
  107 16 16
  108 11 11
  109 17 17
  110 70 70
  111 128 128
  112 57 57
  113 23 23
  114 13 13
  115 19 19
  116 12 12
  117 22 22
  118 7 7
  119 22 22
  120 7 7
  121 10 10
  122 14 14
  123 74 74
  124 46 46
  125 179 179
  126 30 30
  127 12 12
  128 26 26
  129 7 7
  130 17 17
  131 112 112
  132 34 34
  133 39 39
  134 12 12
  135 7 7
  136 18 18
  137 15 15
  138 53 53
  139 46 46
  140 15 15
  141 12 12
  142 15 15
  143 12 12
  144 8 8
  145 2 2
  146 3 3
  147 131 131
  148 33 33
  149 14 14
  150 29 29
  151 18 18
  152 48 48
  153 30 30
  154 13 13
  155 11 11
  156 13 13
  157 14 14
  158 129 129
  159 30 30
  160 12 12
  161 4 4
  162 3 3
  163 14 14
  164 12 12
  165 50 50
  166 160 160
  167 31 31
  168 14 14
  169 11 11
  170 16 16
  171 14 14
  172 144 144
  173 68 68
  174 19 19
  175 11 11
  176 3 3
  177 34 34
  178 9 9
  179 16 16
  180 46 46
  181 134 134
  182 28 28
  183 14 14
  184 6 6
  185 4 4
  186 1 1
  187 1 1
  189 2 2
  190 2 2
  191 45 45
  192 51 51
  193 170 170
  194 30 30
  195 14 14
  196 5 5
  197 23 23
  198 7 7
  199 3 3
  200 1 1
  204 1 1
  205 10 10
  206 234 234
  207 128 128
  208 60 60
  209 16 16
  210 7 7
  211 29 29
  212 10 10
  213 5 5
  214 1 1
  219 1 1
  220 2 2
  221 4 4
  222 25 25
  223 24 24
  224 17 17
  225 6 6
  226 2 2
  227 1 1
  233 1 1
  234 1 1
  235 14 14
  236 9 9
  237 10 10
  238 53 53
  239 28 28
  240 9 9
  241 2 2
  248 1 1
  249 27 27
  250 11 11
  251 6 6
  252 5 5
  253 2 2
  254 1 1
  255 1 1
  263 3 3
  264 13 13
  265 999 999
  266 254 254
  267 100 100
  268 16 16
  269 3 3
  270 1 1
  271 1 1
  272 1 1
  273 1 1
  274 1 1
  275 1 1
  276 1 1
  277 1 1
  278 1 1
  279 39 39
  280 367 367
  281 93 93
  282 37 37
  283 6 6
  284 1 1
//