ACCESSION: MSBNK-Waters-WA002311
RECORD_TITLE: Carbidopa; LC-ESI-Q; MS; NEG; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Carbidopa
CH$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 NEGATIVE
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 30 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-004i-0190000000-c81af12cfbc366accd66
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  101 63 63
  104 8 8
  117 8 8
  121 8 8
  122 8 8
  123 27 27
  134 8 8
  137 8 8
  149 16 16
  150 8 8
  153 8 8
  164 31 31
  165 12 12
  193 16 16
  195 12 12
  212 8 8
  225 999 999
  226 137 137
  227 8 8
  247 27 27
  271 8 8
  277 8 8
  293 12 12
//