MassBank Record: MSBNK-Waters-WA002712
ACCESSION: MSBNK-Waters-WA002712
RECORD_TITLE: Phosphinothricin; LC-ESI-Q; MS; POS; 15 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 15 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-001i-0900000000-65a76c756b39c9658380
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
87 20 20
96 35 35
97 39 39
101 43 43
104 67 67
105 24 24
110 35 35
114 82 82
117 12 12
118 24 24
122 204 204
126 43 43
130 35 35
133 47 47
136 212 212
144 35 35
148 71 71
154 16 16
156 55 55
159 20 20
175 27 27
177 86 86
179 20 20
182 999 999
183 63 63
184 43 43
185 16 16
189 12 12
192 16 16
//