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
//