MassBank Record: KO000271



 3-Amino-3-(4-hydroxyphenyl)propionic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000271
RECORD_TITLE: 3-Amino-3-(4-hydroxyphenyl)propionic acid; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 180 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-6900000000-2b3346eb9919dd180b33 PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 63.200 29703.0 20 65.200 272277.5 183 65.500 24752.5 17 77.200 564357.0 378 79.000 44554.5 30 80.200 24752.5 17 91.400 74257.5 50 92.200 693070.0 465 93.300 128713.0 86 97.500 19802.0 13 103.800 74257.5 50 105.000 272277.5 183 107.000 29703.0 20 107.800 14851.5 10 118.100 44554.5 30 119.100 1490100.5 999 133.000 212871.5 143 134.400 54455.5 37 135.400 34653.5 23 148.200 341584.5 229 //