MassBank Record: KO002137



 3-Amino-1,2-propanediol; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002137
RECORD_TITLE: 3-Amino-1,2-propanediol; LC-ESI-QQ; MS2; CE:50 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 A046

CH$NAME: 3-Amino-1,2-propanediol CH$NAME: 3-Aminopropane-1,2-diol CH$COMPOUND_CLASS: N/A CH$FORMULA: C3H9NO2 CH$EXACT_MASS: 91.06333 CH$SMILES: NCC(O)CO CH$IUPAC: InChI=1S/C3H9NO2/c4-1-3(6)2-5/h3,5-6H,1-2,4H2 CH$LINK: KEGG C06057 CH$LINK: PUBCHEM SID:8327
AC$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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 92 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000y-9000000000-21e364a21232b1f5465d PK$NUM_PEAK: 3 PK$PEAK: m/z int. rel.int. 31.400 44554.5 817 43.800 54455.5 999 45.000 29703.0 545 //