ACCESSION: MSBNK-Kazusa-KZ000029
RECORD_TITLE: Ethanolamine; GC-EI-TOF; MS; 3 TMS; BP:174
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01495_P000088

CH$NAME: Ethanolamine
CH$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: KEGG C00189
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$CHROMATOGRAPHY: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 1247.3
AC$CHROMATOGRAPHY: RETENTION_TIME 529.512 sec

MS$FOCUSED_ION: BASE_PEAK 174
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-1900000000-b64e859a0bfc46cdfcbf
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
  84 9 9
  85 12 12
  86 425 425
  87 57 57
  88 26 26
  89 16 16
  91 1 1
  99 5 5
  100 429 429
  101 61 61
  102 56 56
  103 24 24
  104 4 4
  112 1 1
  113 12 12
  114 54 54
  115 23 23
  116 18 18
  117 37 37
  118 8 8
  119 19 19
  120 1 1
  128 1 1
  129 3 3
  130 67 67
  131 49 49
  132 20 20
  133 98 98
  134 18 18
  135 8 8
  137 1 1
  142 1 1
  143 2 2
  144 11 11
  145 4 4
  146 11 11
  147 216 216
  148 35 35
  149 13 13
  150 2 2
  158 12 12
  159 3 3
  160 3 3
  162 1 1
  172 21 21
  173 2 2
  174 999 999
  175 219 219
  176 92 92
  177 14 14
  178 1 1
  188 9 9
  189 2 2
  190 1 1
  191 1 1
  202 1 1
  204 1 1
  260 1 1
  261 1 1
  262 15 15
  263 3 3
  264 2 2
  276 1 1
  277 1 1
//