MassBank Record: MSBNK-Waters-WA001405
ACCESSION: MSBNK-Waters-WA001405
RECORD_TITLE: Methyldopa; LC-ESI-Q; MS; POS; 15 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 15 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-03di-0190000000-a7c9ea74db9aa9049c54
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
122 20 20
151 8 8
162 8 8
163 24 24
171 12 12
177 12 12
179 24 24
182 8 8
185 8 8
187 39 39
193 12 12
194 20 20
195 71 71
196 8 8
202 8 8
204 12 12
207 8 8
209 51 51
210 12 12
212 999 999
213 78 78
214 8 8
217 12 12
218 12 12
226 16 16
229 16 16
231 8 8
234 137 137
238 12 12
239 20 20
250 8 8
//
system version 2.2.8-SNAPSHOT