MassBank Record: KO003178



 Isopropanolamine; 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: KO003178
RECORD_TITLE: Isopropanolamine; 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 I011

CH$NAME: Isopropanolamine CH$NAME: (R)-1-Aminopropan-2-ol CH$NAME: (R)-1-Amino-2-propanol CH$COMPOUND_CLASS: N/A CH$FORMULA: C3H9NO CH$EXACT_MASS: 75.06841 CH$SMILES: NC[C@@H](C)O CH$IUPAC: InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/t3-/m1/s1 CH$LINK: CAS 2799-16-8 CH$LINK: CHEBI 15675 CH$LINK: KEGG C03194 CH$LINK: NIKKAJI J9.255J CH$LINK: PUBCHEM SID:6071
AC$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$FOCUSED_ION: PRECURSOR_M/Z 76 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4i-9000000000-161d6dbff81f5b4c6761 PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 30.000 74257.5 4 38.900 79208.0 4 41.000 4297034.0 221 43.000 1524754.0 78 55.700 29703.0 2 58.100 19405960.0 999 59.300 1128714.0 58 76.200 1717823.5 88 109.400 19802.0 1 //