MassBank Record: MSBNK-Waters-WA002314
ACCESSION: MSBNK-Waters-WA002314
RECORD_TITLE: Carbidopa; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Carbidopa
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14N2O4
CH$EXACT_MASS: 226.09536
CH$SMILES: NNC(C)(C(O)=O)Cc(c1)cc(O)c(O)c1
CH$IUPAC: InChI=1S/C10H14N2O4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6/h2-4,12-14H,5,11H2,1H3,(H,15,16)/t10-/m0/s1
CH$LINK: CAS
28860-95-9
CH$LINK: INCHIKEY
TZFNLOMSOLWIDK-JTQLQIEISA-N
CH$LINK: COMPTOX
DTXSID4022735
AC$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$CHROMATOGRAPHY: RETENTION_TIME 3.120 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-001i-0910000000-432dfac0c5be3f9ac9a8
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
103 35 35
105 35 35
107 12 12
111 200 200
112 20 20
118 149 149
119 8 8
121 16 16
123 517 517
124 43 43
125 16 16
131 16 16
133 20 20
139 486 486
141 16 16
143 8 8
146 282 282
147 35 35
149 27 27
151 125 125
152 8 8
162 8 8
164 55 55
176 16 16
177 27 27
181 999 999
182 110 110
183 8 8
193 12 12
195 47 47
227 368 368
228 39 39
239 8 8
249 39 39
//