MassBank Record: KO003180



 Isopropanolamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003180
RECORD_TITLE: Isopropanolamine; LC-ESI-QQ; MS2; CE:40 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 76 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0006-9000000000-e9632a162d1c009dbbef PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 22.500 14851.5 13 31.100 103960.5 93 31.800 84158.5 75 39.100 534654.0 480 41.200 396040.0 355 42.200 960397.0 861 43.200 1113862.5 999 43.700 34653.5 31 52.300 89109.0 80 56.600 79208.0 71 58.300 44554.5 40 58.500 14851.5 13 //