MassBank Record: MSBNK-Kazusa-KZ000214
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
//
system version 2.2.6-SNAPSHOT