MassBank Record: KO000269



 3-Amino-3-(4-hydroxyphenyl)propionic acid; 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: KO000269
RECORD_TITLE: 3-Amino-3-(4-hydroxyphenyl)propionic acid; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 180 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-0900000000-fc168e43eaa23c2aa333 PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 60.700 19802.0 2 76.900 138614.0 12 92.000 455446.0 41 95.300 584159.0 52 96.800 99010.0 9 97.600 59406.0 5 104.000 544555.0 49 109.100 9901.0 1 118.500 59406.0 5 119.200 3386142.0 303 120.200 311881.5 28 132.900 44554.5 4 133.900 405941.0 36 134.500 34653.5 3 136.000 504951.0 45 148.200 11148526.0 999 149.700 39604.0 4 152.000 24752.5 2 180.300 3772281.0 338 //