ACCESSION: MSBNK-Waters-WA002313
RECORD_TITLE: Carbidopa; LC-ESI-Q; MS; POS; 60 V, 90 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 60 V, 90 V

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

PK$SPLASH: splash10-0g4i-0900000000-30cee2dfcca1dba242a0
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  101 8 8
  103 556 556
  105 498 498
  107 51 51
  108 16 16
  110 35 35
  111 376 376
  112 8 8
  115 24 24
  116 12 12
  117 188 188
  118 576 576
  119 78 78
  121 16 16
  123 999 999
  124 90 90
  125 12 12
  128 8 8
  130 24 24
  131 102 102
  133 47 47
  134 27 27
  135 16 16
  136 12 12
  137 20 20
  139 180 180
  140 12 12
  146 259 259
  147 27 27
  148 12 12
  149 110 110
  150 16 16
  151 59 59
  160 12 12
  162 39 39
  164 20 20
  166 8 8
  176 24 24
  177 12 12
  181 309 309
  182 27 27
  195 27 27
  196 8 8
  227 298 298
  228 24 24
  239 8 8
  249 43 43
//