ACCESSION: MSBNK-Kazusa-KZ000214
RECORD_TITLE: Histamine; GC-EI-TOF; MS; 3 TMS; BP:86
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_01519_P000234

CH$NAME: Histamine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₅H₉N₃
CH$EXACT_MASS: 111.07965
CH$SMILES: C1=C(NC=N1)CCN
CH$IUPAC: InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
CH$LINK: CAS 51-45-6
CH$LINK: KEGG C00388
CH$LINK: INCHIKEY NTYJJOPFIAHURM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4023125

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 2022.7
AC$CHROMATOGRAPHY: RETENTION_TIME 928.313 sec

MS$FOCUSED_ION: BASE_PEAK 86
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-0f79-5910000000-9946e1707fcaf5562f88
PK$NUM_PEAK: 141
PK$PEAK: m/z int. rel.int.
  82 11 11
  83 28 28
  84 117 117
  85 47 47
  86 999 999
  87 114 114
  88 51 51
  89 4 4
  90 1 1
  91 2 2
  92 1 1
  93 3 3
  94 4 4
  95 11 11
  96 17 17
  97 16 16
  98 54 54
  99 33 33
  100 749 749
  101 142 142
  102 86 86
  103 15 15
  104 5 5
  105 1 1
  106 1 1
  107 1 1
  108 3 3
  109 7 7
  110 23 23
  111 40 40
  112 78 78
  113 47 47
  114 35 35
  115 28 28
  116 77 77
  117 75 75
  118 16 16
  119 6 6
  120 1 1
  121 5 5
  122 2 2
  123 15 15
  124 10 10
  125 17 17
  126 15 15
  127 14 14
  128 9 9
  129 13 13
  130 299 299
  131 72 72
  132 37 37
  133 6 6
  134 1 1
  135 4 4
  136 5 5
  137 15 15
  138 16 16
  139 20 20
  140 11 11
  141 10 10
  142 7 7
  143 4 4
  144 12 12
  145 3 3
  146 36 36
  147 7 7
  148 1 1
  149 9 9
  150 15 15
  151 10 10
  152 11 11
  153 46 46
  154 63 63
  155 19 19
  156 8 8
  157 2 2
  158 8 8
  159 1 1
  160 3 3
  164 4 4
  165 1 1
  166 16 16
  167 3 3
  168 1 1
  170 2 2
  176 20 20
  177 3 3
  178 1 1
  180 1 1
  181 2 2
  182 2 2
  183 1 1
  184 4 4
  185 3 3
  186 1 1
  192 1 1
  193 1 1
  194 1 1
  195 4 4
  196 2 2
  197 5 5
  198 2 2
  199 2 2
  208 4 4
  210 1 1
  211 3 3
  212 3 3
  213 1 1
  222 1 1
  223 1 1
  224 35 35
  225 15 15
  226 103 103
  227 33 33
  228 20 20
  229 3 3
  230 1 1
  237 1 1
  238 24 24
  239 9 9
  240 36 36
  241 8 8
  242 3 3
  252 2 2
  254 10 10
  255 3 3
  256 1 1
  268 1 1
  282 1 1
  283 1 1
  296 1 1
  297 1 1
  310 1 1
  312 140 140
  313 61 61
  314 34 34
  315 8 8
  316 2 2
  326 8 8
  327 4 4
  328 2 2
//