MassBank Record: KO002652



 Diethanolamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002652
RECORD_TITLE: Diethanolamine; LC-ESI-QQ; MS2; CE:10 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 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 106 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4i-0900000000-a5ca41984423de95ef78 PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 33.500 19802.0 1 41.600 49505.0 1 46.000 237624.0 1 49.800 49505.0 1 52.100 29703.0 1 55.300 227723.0 1 56.000 108911.0 1 60.100 69307.0 1 61.000 49505.0 1 62.200 173267.5 1 68.200 24752.5 1 69.900 4876242.5 10 73.000 168317.0 1 74.200 1455447.0 3 88.100 27811909.0 55 88.600 2267329.0 4 105.500 5074262.5 10 106.000 508322290.5 999 //