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MassBank Record: OUF00409

Oxamide; GC-EI-TOF; MS; n TMS; RT:459.294 sec

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: OUF00409
RECORD_TITLE: Oxamide; GC-EI-TOF; MS; n TMS; RT:459.294 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$NAME: Oxamide
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C2H4N2O2
CH$EXACT_MASS: 88.02728
CH$SMILES: NC(=O)C(N)=O
CH$IUPAC: InChI=1S/C2H4N2O2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6)
CH$LINK: CAS 471-46-5
CH$LINK: CHEBI 48248
CH$LINK: CHEMSPIDER 9709
CH$LINK: PUBCHEM CID:10113
CH$LINK: INCHIKEY YIKSCQDJHCMVMK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1060051

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$CHROMATOGRAPHY: RETENTION_INDEX 1325.496
AC$CHROMATOGRAPHY: RETENTION_TIME 459.294 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)

PK$SPLASH: splash10-0udi-0900000000-89ab59f6ece106c510bf
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
  85 24 24
  86 40 40
  87 16 16
  88 8 8
  89 17 17
  90 5 5
  91 3 3
  92 1 1
  93 1 1
  98 5 5
  99 20 20
  100 443 443
  101 72 72
  102 999 999
  103 100 100
  104 41 41
  105 7 7
  111 1 1
  112 1 1
  113 5 5
  114 3 3
  115 21 21
  116 114 114
  117 590 590
  118 78 78
  119 27 27
  120 2 2
  127 3 3
  128 3 3
  130 8 8
  131 63 63
  132 25 25
  133 21 21
  134 4 4
  135 1 1
  142 4 4
  143 1 1
  144 2 2
  145 3 3
  146 5 5
  147 296 296
  148 49 49
  149 23 23
  150 2 2
  158 27 27
  159 5 5
  160 3 3
  172 1 1
  173 1 1
  174 22 22
  175 4 4
  176 2 2
  188 5 5
  189 128 128
  190 25 25
  191 11 11
  192 1 1
  201 1 1
  217 72 72
  218 14 14
  219 6 6
  232 6 6
  233 1 1
//

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