MassBank Record: PR010122



 Histamine; GC-EI-TOF; MS; 3 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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$SMILES: NCCc(c1)ncn1 CH$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
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 //