ACCESSION: MSBNK-Kazusa-KZ000156
RECORD_TITLE: L-Histidinol; GC-EI-TOF; MS; 3 TMS; BP:154
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_05056_P000059

CH$NAME: L-Histidinol
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₆H₁₁N₃O
CH$EXACT_MASS: 141.09021
CH$SMILES: C1=C(NC=N1)C[C@@H](CO)N
CH$IUPAC: InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m0/s1
CH$LINK: KEGG C00860
CH$LINK: INCHIKEY ZQISRDCJNBUVMM-YFKPBYRVSA-N
CH$LINK: COMPTOX DTXSID50863460

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 0.0000
AC$CHROMATOGRAPHY: RETENTION_TIME 914.828 sec

MS$FOCUSED_ION: BASE_PEAK 154
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-0udi-1960000000-2bd5915e1e2204265b30
PK$NUM_PEAK: 166
PK$PEAK: m/z int. rel.int.
  82 109 109
  83 45 45
  84 55 55
  85 29 29
  86 24 24
  87 12 12
  88 40 40
  89 27 27
  90 5 5
  91 1 1
  92 2 2
  93 3 3
  94 3 3
  95 14 14
  96 13 13
  97 11 11
  98 33 33
  99 11 11
  100 138 138
  101 21 21
  102 15 15
  103 18 18
  104 3 3
  105 4 4
  106 1 1
  107 8 8
  108 3 3
  109 5 5
  110 19 19
  111 13 13
  112 40 40
  113 14 14
  114 65 65
  115 26 26
  116 126 126
  117 22 22
  118 9 9
  119 5 5
  120 2 2
  121 3 3
  122 2 2
  123 5 5
  124 6 6
  125 10 10
  126 18 18
  127 7 7
  128 8 8
  129 3 3
  130 29 29
  131 25 25
  132 23 23
  133 24 24
  134 5 5
  135 5 5
  136 3 3
  137 3 3
  138 4 4
  139 14 14
  140 5 5
  141 8 8
  142 2 2
  143 2 2
  144 2 2
  145 1 1
  146 14 14
  147 105 105
  148 21 21
  149 11 11
  150 10 10
  151 12 12
  152 5 5
  153 188 188
  154 999 999
  155 409 409
  156 77 77
  157 16 16
  158 8 8
  159 2 2
  160 1 1
  161 1 1
  162 3 3
  163 3 3
  164 2 2
  165 4 4
  166 37 37
  167 31 31
  168 8 8
  169 3 3
  170 3 3
  171 1 1
  172 6 6
  173 2 2
  174 5 5
  175 1 1
  176 2 2
  177 1 1
  178 2 2
  179 8 8
  180 7 7
  181 6 6
  182 24 24
  183 5 5
  184 5 5
  185 1 1
  186 1 1
  188 68 68
  189 16 16
  190 6 6
  191 1 1
  192 1 1
  193 1 1
  194 4 4
  195 4 4
  196 3 3
  197 4 4
  198 3 3
  199 3 3
  200 2 2
  201 1 1
  202 3 3
  203 13 13
  204 767 767
  205 141 141
  206 62 62
  207 8 8
  208 2 2
  209 1 1
  210 2 2
  211 8 8
  212 3 3
  213 4 4
  214 1 1
  222 1 1
  223 2 2
  224 3 3
  225 9 9
  226 137 137
  227 38 38
  228 15 15
  229 3 3
  237 1 1
  238 40 40
  239 14 14
  240 5 5
  241 1 1
  250 1 1
  251 1 1
  252 35 35
  253 27 27
  254 684 684
  255 152 152
  256 62 62
  257 9 9
  258 1 1
  266 1 1
  267 2 2
  268 6 6
  269 2 2
  270 1 1
  326 2 2
  327 1 1
  341 4 4
  342 41 41
  343 14 14
  344 6 6
  345 1 1
//