ACCESSION: MSBNK-Kazusa-KZ000046
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_01561_P000168

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 1977.0
AC$CHROMATOGRAPHY: RETENTION_TIME 915.025 sec

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

PK$SPLASH: splash10-0udi-1970000000-5f8fce52ae008e9577d3
PK$NUM_PEAK: 162
PK$PEAK: m/z int. rel.int.
  82 110 110
  83 40 40
  84 56 56
  85 28 28
  86 23 23
  87 12 12
  88 40 40
  89 27 27
  90 5 5
  91 2 2
  92 4 4
  93 3 3
  94 3 3
  95 12 12
  96 12 12
  97 11 11
  98 32 32
  99 10 10
  100 129 129
  101 18 18
  102 15 15
  103 18 18
  104 3 3
  105 4 4
  106 1 1
  107 8 8
  108 2 2
  109 5 5
  110 15 15
  111 13 13
  112 40 40
  113 14 14
  114 59 59
  115 25 25
  116 118 118
  117 22 22
  118 9 9
  119 5 5
  120 2 2
  121 3 3
  122 2 2
  123 4 4
  124 6 6
  125 8 8
  126 18 18
  127 9 9
  128 9 9
  129 2 2
  130 29 29
  131 26 26
  132 25 25
  133 26 26
  134 6 6
  135 5 5
  136 3 3
  137 4 4
  138 4 4
  139 15 15
  140 6 6
  141 7 7
  142 3 3
  143 3 3
  144 1 1
  145 1 1
  146 13 13
  147 95 95
  148 19 19
  149 10 10
  150 9 9
  151 10 10
  152 5 5
  153 181 181
  154 999 999
  155 389 389
  156 78 78
  157 17 17
  158 8 8
  159 2 2
  160 1 1
  161 1 1
  162 3 3
  163 2 2
  164 2 2
  165 3 3
  166 35 35
  167 33 33
  168 8 8
  169 4 4
  170 3 3
  171 1 1
  172 6 6
  173 2 2
  174 6 6
  175 1 1
  176 2 2
  178 1 1
  179 9 9
  180 6 6
  181 6 6
  182 16 16
  183 4 4
  184 6 6
  185 1 1
  186 1 1
  187 1 1
  188 66 66
  189 18 18
  190 7 7
  191 2 2
  193 1 1
  194 4 4
  195 3 3
  196 3 3
  197 3 3
  198 4 4
  199 3 3
  200 1 1
  202 2 2
  203 12 12
  204 799 799
  205 162 162
  206 69 69
  207 10 10
  208 3 3
  209 1 1
  210 1 1
  211 8 8
  212 3 3
  213 3 3
  214 1 1
  222 1 1
  223 2 2
  224 2 2
  225 10 10
  226 174 174
  227 49 49
  228 19 19
  229 3 3
  237 1 1
  238 39 39
  239 14 14
  240 5 5
  241 1 1
  250 1 1
  251 1 1
  252 36 36
  253 27 27
  254 715 715
  255 177 177
  256 66 66
  257 10 10
  258 1 1
  266 1 1
  267 2 2
  268 5 5
  269 1 1
  326 1 1
  341 2 2
  342 43 43
  343 15 15
  344 7 7
  345 1 1
//