MassBank Record: KO002389



 2-Amino-2-methyl-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: KO002389
RECORD_TITLE: 2-Amino-2-methyl-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 A224

CH$NAME: 2-Amino-2-methyl-1,3-propanediol CH$NAME: 2-Amino-2-methyl-1,3-propandiol CH$NAME: Aminomethyl propanediol CH$COMPOUND_CLASS: N/A CH$FORMULA: C4H11NO2 CH$EXACT_MASS: 105.07898 CH$SMILES: OCC(C)(N)CO CH$IUPAC: InChI=1S/C4H11NO2/c1-4(5,2-6)3-7/h6-7H,2-3,5H2,1H3 CH$LINK: CAS 115-69-5 CH$LINK: CHEBI 991 CH$LINK: KEGG C11260 CH$LINK: NIKKAJI J35.183K CH$LINK: PUBCHEM SID:13437
AC$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$FOCUSED_ION: PRECURSOR_M/Z 106 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-9100000000-5d07589964bdb4f1894f PK$NUM_PEAK: 17 PK$PEAK: m/z int. rel.int. 43.200 153465.5 120 46.000 242574.5 189 46.200 133663.5 104 58.100 242574.5 189 59.100 99010.0 77 60.300 118812.0 93 61.400 39604.0 31 63.700 34653.5 27 70.100 113861.5 89 71.000 618812.5 482 72.000 435644.0 339 73.900 1282179.5 999 88.100 391089.5 305 88.900 316832.0 247 94.900 34653.5 27 106.100 554456.0 432 420.400 9901.0 8 //