MassBank Record: KO002369



 2-Amino-2-(hydroxymethyl)-1,3-propanediol; 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: KO002369
RECORD_TITLE: 2-Amino-2-(hydroxymethyl)-1,3-propanediol; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 122 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0pi0-7900000000-244b89c0e2e656701b1d PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 30.200 178218.0 27 41.300 59406.0 9 44.900 54455.5 8 56.100 3420795.5 518 57.000 2361388.5 358 57.900 29703.0 5 62.800 99010.0 15 69.000 1039605.0 158 72.900 54455.5 8 73.900 816832.5 124 77.300 34653.5 5 78.000 44554.5 7 86.300 212871.5 32 87.000 623763.0 95 89.900 49505.0 8 91.700 19802.0 3 94.300 29703.0 5 95.800 14851.5 2 104.100 6594066.0 999 105.200 1301981.5 197 107.000 133663.5 20 122.200 3584162.0 543 //