ACCESSION: MSBNK-Waters-WA002310
RECORD_TITLE: Carbidopa; LC-ESI-Q; MS; NEG; 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 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 45 V

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

PK$SPLASH: splash10-0fi0-0930000000-c546ec9e568143dcd893
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  101 717 717
  102 31 31
  103 16 16
  105 8 8
  106 8 8
  108 51 51
  109 180 180
  110 16 16
  113 8 8
  114 8 8
  117 24 24
  121 63 63
  122 157 157
  123 760 760
  124 63 63
  125 8 8
  127 16 16
  139 16 16
  140 20 20
  144 12 12
  145 8 8
  149 400 400
  150 51 51
  151 12 12
  152 12 12
  153 8 8
  154 16 16
  155 12 12
  164 368 368
  165 39 39
  166 8 8
  177 39 39
  178 20 20
  190 8 8
  193 137 137
  194 16 16
  199 12 12
  213 8 8
  217 12 12
  220 12 12
  225 999 999
  226 102 102
  227 8 8
  230 8 8
  231 24 24
  232 12 12
  243 8 8
  247 98 98
  249 8 8
  253 12 12
  257 8 8
  263 24 24
  264 20 20
  274 12 12
  278 12 12
  281 16 16
  283 8 8
//