MassBank Record: MSBNK-Waters-WA002709
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
//