ACCESSION: MSBNK-RIKEN-PR010122
RECORD_TITLE: Histamine; GC-EI-TOF; MS; 3 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$NAME: Histamine
CH$NAME: 2-(4-Imidazolyl)ethylamine
CH$NAME: 1H-Imidazole-4-ethanamine
CH$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: CHEBI 18295
CH$LINK: CHEMPDB HSM
CH$LINK: KEGG C00388
CH$LINK: NIKKAJI J4.117C
CH$LINK: PUBCHEM 3678
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$CHROMATOGRAPHY: RETENTION_INDEX 1876.8
AC$CHROMATOGRAPHY: RETENTION_TIME 451.939 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C14H33N3Si3
MS$FOCUSED_ION: DERIVATIVE_MASS 327.19823
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-9710000000-bf79b524c104e1cc94ba
PK$NUM_PEAK: 126
PK$PEAK: m/z int. rel.int.
  60 12 12
  61 5 5
  66 1 1
  67 2 2
  69 3 3
  70 15 15
  71 8 8
  72 20 20
  73 999 999
  74 79 79
  75 27 27
  76 2 2
  77 8 8
  78 2 2
  79 15 15
  80 2 2
  81 5 5
  82 3 3
  83 8 8
  84 24 24
  85 11 11
  86 271 271
  87 26 26
  88 10 10
  89 1 1
  95 2 2
  96 2 2
  97 2 2
  98 8 8
  99 4 4
  100 133 133
  101 19 19
  102 12 12
  103 2 2
  109 1 1
  110 3 3
  111 5 5
  112 11 11
  113 6 6
  114 4 4
  115 4 4
  116 11 11
  117 10 10
  118 2 2
  119 1 1
  123 2 2
  124 1 1
  125 3 3
  126 2 2
  127 2 2
  128 1 1
  129 2 2
  130 49 49
  131 12 12
  132 6 6
  133 1 1
  135 1 1
  136 1 1
  137 3 3
  138 3 3
  139 4 4
  140 2 2
  141 2 2
  142 2 2
  143 1 1
  144 2 2
  145 1 1
  146 7 7
  147 2 2
  148 1 1
  149 2 2
  150 3 3
  151 3 3
  152 2 2
  153 11 11
  154 13 13
  155 4 4
  156 1 1
  158 3 3
  160 1 1
  164 2 2
  165 1 1
  166 10 10
  167 3 3
  168 3 3
  170 4 4
  171 1 1
  172 6 6
  173 2 2
  174 727 727
  175 119 119
  176 58 58
  177 6 6
  178 1 1
  180 1 1
  181 1 1
  182 1 1
  184 2 2
  185 1 1
  195 1 1
  197 2 2
  198 1 1
  208 1 1
  210 1 1
  211 3 3
  212 2 2
  222 1 1
  223 1 1
  224 28 28
  225 9 9
  226 96 96
  227 22 22
  228 8 8
  229 1 1
  238 5 5
  239 2 2
  240 7 7
  241 1 1
  254 2 2
  310 1 1
  311 2 2
  312 59 59
  313 18 18
  314 8 8
  315 1 1
  326 1 1
//