MassBank Record: MSBNK-Kazusa-KZ000229
ACCESSION: MSBNK-Kazusa-KZ000229
RECORD_TITLE: 4-Hydroxy-L-proline; GC-EI-TOF; MS; 3 TMS; BP:140
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01730_P000128
CH$NAME: L-Hydroxyproline
CH$NAME: 4-Hydroxy-L-proline
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C5H9NO3
CH$EXACT_MASS: 131.05824
CH$SMILES: OC(C1)CC(N1)C(O)=O
CH$IUPAC: InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3?,4-/m0/s1
CH$LINK: CAS
51-35-4
CH$LINK: KEGG
C01015
CH$LINK: INCHIKEY
PMMYEEVYMWASQN-BKLSDQPFSA-N
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
AC$INSTRUMENT_TYPE: GC-EI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$CHROMATOGRAPHY: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 1544.2
AC$CHROMATOGRAPHY: RETENTION_TIME 714.713 sec
MS$FOCUSED_ION: BASE_PEAK 140
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-000x-0940000000-a668e3cb89c27d5aaaec
PK$NUM_PEAK: 140
PK$PEAK: m/z int. rel.int.
82 6 6
83 28 28
84 26 26
85 26 26
86 30 30
87 18 18
88 6 6
89 14 14
90 2 2
91 1 1
92 2 2
93 4 4
94 8 8
95 8 8
96 11 11
97 15 15
98 21 21
99 26 26
100 67 67
101 87 87
102 20 20
103 31 31
104 4 4
105 11 11
106 2 2
107 1 1
108 4 4
109 2 2
110 5 5
111 11 11
112 18 18
113 24 24
114 15 15
115 27 27
116 26 26
117 29 29
118 6 6
119 16 16
120 2 2
121 1 1
122 1 1
124 49 49
125 7 7
126 12 12
127 2 2
128 11 11
129 38 38
130 9 9
131 47 47
132 11 11
133 90 90
134 13 13
135 8 8
136 1 1
138 5 5
139 20 20
140 999 999
141 152 152
142 146 146
143 22 22
144 6 6
145 3 3
146 2 2
147 276 276
148 47 47
149 38 38
150 5 5
151 2 2
152 5 5
153 1 1
154 2 2
155 2 2
156 15 15
157 6 6
158 22 22
159 5 5
160 2 2
161 1 1
166 4 4
167 1 1
168 3 3
170 15 15
171 2 2
172 12 12
173 4 4
175 8 8
176 2 2
177 3 3
178 1 1
180 1 1
182 3 3
183 1 1
184 2 2
185 1 1
186 1 1
187 7 7
188 27 27
189 9 9
190 3 3
191 3 3
192 1 1
193 1 1
196 2 2
197 1 1
198 3 3
199 1 1
200 2 2
201 1 1
202 1 1
203 3 3
204 1 1
205 1 1
212 1 1
214 24 24
215 5 5
216 8 8
217 2 2
218 2 2
221 1 1
228 8 8
229 5 5
230 820 820
231 188 188
232 81 81
233 12 12
234 2 2
240 4 4
241 1 1
242 1 1
244 1 1
258 3 3
259 2 2
260 1 1
304 37 37
305 13 13
306 6 6
307 1 1
332 21 21
333 7 7
334 3 3
//