ACCESSION: MSBNK-Waters-WA002709
RECORD_TITLE: Phosphinothricin; LC-ESI-Q; MS; POS; 60 V, 75 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 60 V, 75 V

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

PK$SPLASH: splash10-014r-3900000000-d598474b90afc270f1af
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  75 16 16
  77 129 129
  78 129 129
  79 102 102
  82 278 278
  84 24 24
  85 353 353
  88 16 16
  89 102 102
  90 51 51
  92 31 31
  96 43 43
  97 55 55
  103 78 78
  105 20 20
  106 67 67
  107 121 121
  108 20 20
  109 59 59
  110 247 247
  115 55 55
  116 121 121
  119 999 999
  120 129 129
  122 86 86
  125 47 47
  128 43 43
  130 59 59
  133 47 47
  134 24 24
  135 110 110
  136 247 247
  137 270 270
  138 31 31
  140 35 35
  141 31 31
  142 24 24
  143 16 16
  146 16 16
  147 20 20
  150 12 12
  153 20 20
  155 63 63
  157 39 39
  158 24 24
  159 74 74
  166 12 12
  169 16 16
  172 12 12
  174 59 59
  178 35 35
  179 12 12
  182 78 78
  184 39 39
  189 35 35
  192 16 16
  193 16 16
  194 16 16
  195 16 16
  196 12 12
//