ACCESSION: MSBNK-Waters-WA002710
RECORD_TITLE: Phosphinothricin; 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$NAME: Phosphinothricin
CH$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 45 V

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

PK$SPLASH: splash10-014r-1900000000-427055ed42aa9f051419
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  76 27 27
  81 94 94
  83 27 27
  86 82 82
  88 24 24
  92 12 12
  94 35 35
  96 24 24
  99 24 24
  102 74 74
  107 27 27
  110 63 63
  112 51 51
  114 12 12
  115 24 24
  119 999 999
  120 59 59
  123 20 20
  129 12 12
  131 24 24
  132 16 16
  136 752 752
  137 161 161
  139 16 16
  142 12 12
  152 12 12
  158 16 16
  159 43 43
  164 20 20
  165 35 35
  168 16 16
  173 12 12
  174 12 12
  177 16 16
  178 24 24
  182 55 55
  187 16 16
  191 35 35
  193 12 12
  194 24 24
  196 12 12
//