ACCESSION: MSBNK-RIKEN-PR010155
RECORD_TITLE: Ethanolamine; GC-EI-TOF; MS; 3 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: Ethanolamine
CH$NAME: Aminoethanol
CH$NAME: 2-Hydroxyethylamine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₂H₇NO
CH$EXACT_MASS: 61.05276
CH$SMILES: NCCO
CH$IUPAC: InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2
CH$LINK: CAS 141-43-5
CH$LINK: CHEBI 16000
CH$LINK: KEGG C00189
CH$LINK: NIKKAJI J2.536D
CH$LINK: PUBCHEM 3489
CH$LINK: INCHIKEY HZAXFHJVJLSVMW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6022000

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$CHROMATOGRAPHY: RETENTION_INDEX 1261.5
AC$CHROMATOGRAPHY: RETENTION_TIME 336.307 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C11H31NOSi3
MS$FOCUSED_ION: DERIVATIVE_MASS 277.17134
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-8900000000-ec4268b6041043d15437
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
  60 23 23
  61 15 15
  62 1 1
  66 10 10
  67 1 1
  69 1 1
  70 17 17
  71 11 11
  72 30 30
  73 999 999
  74 92 92
  75 45 45
  76 3 3
  77 8 8
  83 2 2
  84 5 5
  85 9 9
  86 281 281
  87 36 36
  88 23 23
  89 12 12
  90 1 1
  98 2 2
  99 5 5
  100 291 291
  101 44 44
  102 35 35
  103 27 27
  104 4 4
  105 5 5
  113 9 9
  114 37 37
  115 18 18
  116 20 20
  117 30 30
  118 6 6
  119 13 13
  120 1 1
  121 1 1
  128 1 1
  129 4 4
  130 49 49
  131 44 44
  132 13 13
  133 96 96
  134 14 14
  135 7 7
  142 1 1
  143 1 1
  144 10 10
  145 3 3
  146 6 6
  147 155 155
  148 25 25
  149 12 12
  150 1 1
  158 7 7
  159 2 2
  160 1 1
  172 11 11
  173 3 3
  174 605 605
  175 117 117
  176 60 60
  177 7 7
  178 1 1
  187 1 1
  188 7 7
  189 2 2
  190 1 1
  204 1 1
  262 14 14
  263 4 4
  264 2 2
//