ACCESSION: MSBNK-Waters-WA002711
RECORD_TITLE: Phosphinothricin; LC-ESI-Q; MS; POS; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Phosphinothricin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₂NO₄P
CH$EXACT_MASS: 181.05039
CH$SMILES: NC(CCP(C)(O)=O)C(O)=O
CH$IUPAC: InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)
CH$LINK: CAS 51276-47-2
CH$LINK: INCHIKEY IAJOBQBIJHVGMQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0043973

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 2.230 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$SPLASH: splash10-000i-0900000000-b8e6c3b37e20d5e55774
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  82 20 20
  84 16 16
  91 12 12
  93 12 12
  97 12 12
  102 16 16
  104 39 39
  114 39 39
  116 20 20
  119 118 118
  123 24 24
  136 999 999
  137 78 78
  144 20 20
  148 12 12
  159 20 20
  165 20 20
  173 12 12
  182 184 184
//