MassBank Record: KO002390



 2-Amino-2-methyl-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: KO002390
RECORD_TITLE: 2-Amino-2-methyl-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 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 106 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00dl-9000000000-73caf7bf545e98886d4f PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 36.200 19802.0 69 38.500 19802.0 69 41.000 143564.5 500 42.900 193069.5 672 44.300 19802.0 69 45.100 59406.0 207 45.800 138614.0 482 58.300 24752.5 86 58.900 44554.5 155 60.900 29703.0 103 65.700 79208.0 276 68.100 9901.0 34 69.800 34653.5 121 70.300 34653.5 121 71.200 74257.5 258 71.900 287129.0 999 73.900 222772.5 775 76.700 29703.0 103 78.400 34653.5 121 88.000 34653.5 121 135.600 24752.5 86 228.600 14851.5 52 //