MassBank Record: KO002653



 Diethanolamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002653
RECORD_TITLE: Diethanolamine; LC-ESI-QQ; MS2; CE:20 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 D033

CH$NAME: Diethanolamine CH$COMPOUND_CLASS: N/A CH$FORMULA: C4H11NO2 CH$EXACT_MASS: 105.07898 CH$SMILES: OCCNCCO CH$IUPAC: InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2 CH$LINK: CAS 111-42-2 CH$LINK: CHEBI 28123 CH$LINK: KEGG C06772 CH$LINK: NIKKAJI J808G CH$LINK: PUBCHEM SID:8992
AC$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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 106 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-05g0-9200000000-626e5d5103e3012c611e PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 11.600 59406.0 1 21.700 173267.5 3 27.600 123762.5 2 40.900 118812.0 2 42.200 945545.5 15 43.900 3257429.0 51 44.900 3990103.0 63 46.000 99010.0 2 55.100 49505.0 1 60.100 321782.5 5 60.900 118812.0 2 62.200 1247526.0 20 68.100 1287130.0 20 70.000 63237687.0 999 71.000 178218.0 3 71.800 277228.0 4 74.000 663367.0 10 85.000 59406.0 1 88.100 54316886.0 858 88.600 1326734.0 21 106.100 41618853.5 657 248.600 34653.5 1 271.200 14851.5 1 //