MassBank Record: KO003179



 Isopropanolamine; 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: KO003179
RECORD_TITLE: Isopropanolamine; 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 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 76 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0006-9000000000-30315509287cdf445d92 PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 30.300 94059.5 34 31.100 64356.5 23 39.000 554456.0 202 41.100 2287131.0 833 42.200 544555.0 198 43.100 2742577.0 999 44.100 74257.5 27 56.100 64356.5 23 58.100 1301981.5 474 59.000 207921.0 76 70.700 9901.0 4 75.600 24752.5 9 129.400 39604.0 14 //