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
//