MassBank Record: MSBNK-Waters-WA002867
ACCESSION: MSBNK-Waters-WA002867
RECORD_TITLE: 2,5-Dimethoxy-4-bromoamphetamine; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: 2,5-Dimethoxy-4-bromoamphetamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H16BrNO2
CH$EXACT_MASS: 273.03644
CH$SMILES: CC(N)Cc(c1)c(OC)cc(Br)c(OC)1
CH$IUPAC: InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
CH$LINK: CAS
32156-26-6
CH$LINK: INCHIKEY
FXMWUTGUCAKGQL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5050428
AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 12.600 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-004i-0960000000-75b78fe316bc95ae9c96
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
103 35 35
105 196 196
106 274 274
107 27 27
108 407 407
109 16 16
116 67 67
117 31 31
118 16 16
119 8 8
120 82 82
121 31 31
122 329 329
123 12 12
131 31 31
132 12 12
133 266 266
135 541 541
136 47 47
137 8 8
146 16 16
147 121 121
148 78 78
149 129 129
150 247 247
151 20 20
157 16 16
163 768 768
164 82 82
165 8 8
169 31 31
171 39 39
177 8 8
178 999 999
179 90 90
185 8 8
186 8 8
187 12 12
194 12 12
199 266 266
201 333 333
202 24 24
203 63 63
208 12 12
216 8 8
217 16 16
218 12 12
219 8 8
223 82 82
224 8 8
227 325 325
229 932 932
230 35 35
231 615 615
232 31 31
240 161 161
242 396 396
244 384 384
245 27 27
257 118 118
259 121 121
260 8 8
274 16 16
276 20 20
//
system version 2.2.6-SNAPSHOT