MassBank Record: OUF00391

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N-Methylethanolamine; GC-EI-TOF; MS; n TMS; RT:302.501 sec

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

ACCESSION: OUF00391
RECORD_TITLE: N-Methylethanolamine; GC-EI-TOF; MS; n TMS; RT:302.501 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$NAME: N-Methylethanolamine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C3H9NO
CH$EXACT_MASS: 75.068410000000000081854523159563541412353515625
CH$SMILES: CNCCO
CH$IUPAC: InChI=1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3
CH$LINK: CAS 109-83-1
CH$LINK: CHEBI 21763 272064
CH$LINK: CHEMSPIDER 13836021
CH$LINK: COMPTOX DTXSID5025603
CH$LINK: INCHIKEY OPKOKAMJFNKNAS-UHFFFAOYSA-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$CHROMATOGRAPHY: RETENTION_INDEX 1073.558
AC$CHROMATOGRAPHY: RETENTION_TIME 302.501 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-014i-0900000000-8c7310c8f591e48c733a
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  85 3 3
  86 31 31
  87 14 14
  88 27 27
  89 17 17
  90 3 3
  92 1 1
  95 1 1
  96 2 2
  98 4 4
  99 2 2
  100 21 21
  101 13 13
  102 8 8
  103 18 18
  104 2 2
  105 5 5
  113 1 1
  114 13 13
  115 15 15
  116 999 999
  117 122 122
  118 43 43
  119 10 10
  120 1 1
  128 1 1
  129 1 1
  130 53 53
  131 25 25
  132 10 10
  133 22 22
  134 3 3
  135 1 1
  146 1 1
  147 223 223
  148 37 37
  149 18 18
  150 1 1
  204 14 14
  205 2 2
  219 19 19
  220 3 3
  221 1 1
//