MassBank Record: MSBNK-Waters-WA002711
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
//