MassBank Record: MSBNK-Osaka_Univ-OUF00335
ACCESSION: MSBNK-Osaka_Univ-OUF00335
RECORD_TITLE: Maleamic acid; GC-EI-TOF; MS; n TMS; RT:518.758 sec
DATE: 2016.01.19 (Created 2010.05.20, modified 2013.04.24)
AUTHORS: Tsujimoto Y, Tsugawa H, Bamba T, Fukusaki E, engineering department, Osaka Univ.
LICENSE: CC BY-SA
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.
CH$NAME: Maleamic acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C4H5NO3
CH$EXACT_MASS: 115.02694
CH$SMILES: NC(=O)C=CC(O)=O
CH$IUPAC: InChI=1S/C4H5NO3/c5-3(6)1-2-4(7)8/h1-2H,(H2,5,6)(H,7,8)/b2-1-
CH$LINK: CAS
557-24-4
CH$LINK: CHEBI
16146 29045
CH$LINK: CHEMSPIDER
4444106
CH$LINK: KEGG
C01596
CH$LINK: PUBCHEM
CID:5280451
CH$LINK: INCHIKEY
FSQQTNAZHBEJLS-UPHRSURJSA-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$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min
AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500
AC$CHROMATOGRAPHY: COLUMN_NAME CP-SIL 8 CB LOW BLEED/MS
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C
AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C (Duration 2 min)-330 C (rate: 15 C/min; Duration 6 min)
AC$CHROMATOGRAPHY: RETENTION_INDEX 1434.548
AC$CHROMATOGRAPHY: RETENTION_TIME 518.758 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-0002-0910000000-a852ad072ca6ea67e4db
PK$NUM_PEAK: 89
PK$PEAK: m/z int. rel.int.
85 36 36
86 28 28
87 14 14
88 6 6
89 10 10
90 2 2
91 2 2
92 1 1
93 1 1
94 1 1
95 1 1
96 5 5
97 9 9
98 31 31
99 22 22
100 80 80
101 23 23
102 15 15
103 14 14
104 2 2
105 4 4
106 1 1
110 16 16
111 8 8
112 29 29
113 25 25
114 4 4
115 32 32
116 10 10
117 23 23
118 3 3
119 6 6
120 1 1
124 6 6
125 3 3
126 40 40
127 31 31
128 12 12
129 37 37
130 9 9
131 26 26
132 25 25
133 87 87
134 13 13
135 6 6
140 4 4
141 52 52
142 274 274
143 51 51
144 17 17
145 3 3
146 7 7
147 999 999
148 164 164
149 144 144
150 19 19
151 4 4
154 171 171
155 21 21
156 11 11
157 5 5
158 3 3
159 2 2
168 2 2
169 102 102
170 30 30
171 7 7
172 4 4
173 2 2
174 1 1
200 1 1
201 2 2
213 1 1
214 13 13
215 4 4
216 4 4
217 1 1
228 105 105
229 27 27
230 10 10
242 3 3
243 1 1
244 170 170
245 37 37
246 14 14
247 1 1
259 12 12
260 1 1
261 1 1
//