MassBank Record: KO000270



 3-Amino-3-(4-hydroxyphenyl)propionic acid; 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: KO000270
RECORD_TITLE: 3-Amino-3-(4-hydroxyphenyl)propionic acid; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 180 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00ke-3900000000-3e0b15824a78ee98e01a PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 63.200 54455.5 15 65.100 138614.0 39 65.400 19802.0 6 77.000 1019803.0 287 79.100 64356.5 18 92.000 1975249.5 557 93.100 143564.5 40 95.300 252475.5 71 97.000 74257.5 21 101.600 9901.0 3 103.900 450495.5 127 105.100 49505.0 14 107.800 39604.0 11 110.000 49505.0 14 118.400 29703.0 8 118.900 3138617.0 885 120.200 455446.0 128 121.000 94059.5 27 133.100 371287.5 105 133.900 217822.0 61 135.800 54455.5 15 148.100 3544558.0 999 180.100 49505.0 14 //