ACCESSION: MSBNK-Keio_Univ-KO002853
RECORD_TITLE: Ethanolamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID E023

CH$NAME: Ethanolamine
CH$NAME: Aminoethanol
CH$NAME: 2-Hydroxyethylamine
CH$COMPOUND_CLASS: N/A
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$LINK: PUBCHEM SID:3489
CH$LINK: INCHIKEY HZAXFHJVJLSVMW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6022000

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V

MS$FOCUSED_ION: PRECURSOR_M/Z 62
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-03di-9000000000-5c0261b2dcc6ae1291a1
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  26.300 24752.5 2
  42.600 19802.0 2
  44.100 1742576.0 144
  45.300 242574.5 20
  61.500 163366.5 14
  62.100 12079220.0 999
//