MassBank Record: KO002654



 Diethanolamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002654
RECORD_TITLE: Diethanolamine; LC-ESI-QQ; MS2; CE:30 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 106 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00dm-9000000000-74add71de850cb4c8e2d PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 20.100 94059.5 6 27.700 44554.5 3 29.900 24752.5 2 41.000 519802.5 34 42.200 2059408.0 136 43.000 311881.5 21 44.000 5698025.5 376 45.000 8811890.0 581 53.000 74257.5 5 55.200 391089.5 26 56.000 44554.5 3 57.100 49505.0 3 60.000 54455.5 4 60.900 74257.5 5 61.900 202970.5 13 66.000 54455.5 4 68.000 1396041.0 92 68.600 59406.0 4 70.000 15158431.0 999 72.000 178218.0 12 72.800 29703.0 2 73.900 99010.0 7 88.100 2698022.5 178 106.000 405941.0 27 //