MassBank Record: KO002370



 2-Amino-2-(hydroxymethyl)-1,3-propanediol; 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: KO002370
RECORD_TITLE: 2-Amino-2-(hydroxymethyl)-1,3-propanediol; 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 A194

CH$NAME: 2-Amino-2-(hydroxymethyl)-1,3-propanediol CH$NAME: Trometamol CH$NAME: Tromethamine CH$COMPOUND_CLASS: N/A CH$FORMULA: C4H11NO3 CH$EXACT_MASS: 121.07389 CH$SMILES: OCC(N)(CO)CO CH$IUPAC: InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2 CH$LINK: CAS 77-86-1 CH$LINK: KEGG C07182 CH$LINK: NIKKAJI J4.214E CH$LINK: PUBCHEM SID:9391
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 122 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4i-9000000000-a468801012da982d3bac PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 30.200 178218.0 61 38.900 59406.0 20 40.900 331683.5 114 43.900 39604.0 14 45.100 69307.0 24 56.100 2905943.5 999 57.200 2886141.5 992 58.100 49505.0 17 67.900 103960.5 36 69.000 311881.5 107 74.000 396040.0 136 77.700 212871.5 73 78.200 143564.5 49 86.000 29703.0 10 93.400 19802.0 7 95.200 29703.0 10 95.900 34653.5 12 104.100 74257.5 26 105.000 376238.0 129 105.800 44554.5 15 107.200 79208.0 27 122.100 49505.0 17 //