MassBank Record: KO000272



 3-Amino-3-(4-hydroxyphenyl)propionic acid; 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: KO000272
RECORD_TITLE: 3-Amino-3-(4-hydroxyphenyl)propionic acid; 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 A176

CH$NAME: 3-Amino-3-(4-hydroxyphenyl)propionate CH$NAME: 3-Amino-3-(4-hydroxyphenyl)propanoate CH$NAME: beta-Tyrosine CH$NAME: 3-Amino-3-(4-hydroxyphenyl)propionic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H11NO3 CH$EXACT_MASS: 181.07389 CH$SMILES: OC(=O)CC(N)c(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C9H11NO3/c10-8(5-9(12)13)6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13) CH$LINK: CHEBI 16939 CH$LINK: KEGG C04368 CH$LINK: PUBCHEM SID:7012
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 180 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014l-9600000000-b6414e38795b20978740 PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 27.900 9901.0 17 40.200 24752.5 43 63.000 24752.5 43 65.200 292079.5 504 66.000 49505.0 85 77.100 301980.5 521 79.000 34653.5 60 80.700 19802.0 34 91.000 183168.5 316 92.100 158416.0 273 93.100 138614.0 239 94.100 29703.0 51 97.200 34653.5 60 104.000 29703.0 51 104.900 202970.5 350 106.900 24752.5 43 119.200 579208.5 999 132.700 54455.5 94 //