MassBank Record: KZ000214



 Histamine; GC-EI-TOF; MS; 3 TMS; BP:86 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000214
RECORD_TITLE: Histamine; GC-EI-TOF; MS; 3 TMS; BP:86
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, 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 //

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