MassBank Record: MSBNK-Waters-WA001404
ACCESSION: MSBNK-Waters-WA001404
RECORD_TITLE: Methyldopa; LC-ESI-Q; MS; POS; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Methyldopa
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H13NO4
CH$EXACT_MASS: 211.08446
CH$SMILES: OC(=O)C(C)(N)Cc(c1)cc(O)c(O)c1
CH$IUPAC: InChI=1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)/t10-/m0/s1
CH$LINK: CAS
555-30-6
CH$LINK: INCHIKEY
CJCSPKMFHVPWAR-JTQLQIEISA-N
CH$LINK: COMPTOX
DTXSID5023295
AC$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$CHROMATOGRAPHY: RETENTION_TIME 2.620 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00rj-0910000000-efaf4bcfb7db1d6aa1ba
PK$NUM_PEAK: 97
PK$PEAK: m/z int. rel.int.
100 20 20
102 106 106
103 137 137
104 35 35
106 290 290
108 8 8
109 8 8
111 98 98
112 24 24
115 20 20
116 24 24
117 8 8
118 8 8
119 12 12
120 39 39
121 353 353
122 255 255
123 55 55
124 20 20
125 16 16
126 110 110
127 35 35
129 12 12
133 43 43
134 20 20
135 24 24
136 12 12
137 27 27
139 999 999
140 47 47
143 16 16
145 35 35
147 12 12
149 12 12
151 94 94
152 51 51
154 215 215
155 71 71
157 31 31
158 12 12
159 12 12
160 16 16
162 8 8
163 51 51
166 807 807
167 67 67
168 20 20
169 8 8
171 12 12
173 27 27
175 20 20
177 86 86
178 8 8
179 78 78
180 12 12
182 20 20
183 16 16
185 24 24
186 16 16
187 51 51
190 8 8
191 12 12
193 24 24
195 599 599
196 27 27
198 12 12
201 12 12
202 8 8
204 8 8
205 8 8
207 12 12
208 8 8
209 82 82
211 8 8
212 470 470
213 51 51
217 35 35
218 8 8
219 8 8
220 16 16
221 8 8
226 8 8
228 12 12
229 16 16
231 20 20
234 86 86
235 16 16
236 8 8
237 16 16
239 51 51
242 8 8
244 8 8
245 12 12
246 8 8
247 12 12
248 12 12
250 12 12
//
system version 2.2.8-SNAPSHOT