MassBank Record: PB001403



 5-Hydroxytryptophan; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB001403
RECORD_TITLE: 5-Hydroxytryptophan; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.05.25, modified 2013.06.04)
AUTHORS: Boettcher C, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 581
COMMENT: CONFIDENCE: confident structure

CH$NAME: 5-Hydroxytryptophan CH$NAME: 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid CH$COMPOUND_CLASS: Natural Product; Amino acid CH$FORMULA: C11H12N2O3 CH$EXACT_MASS: 220.08479 CH$SMILES: C1=CC2=C(C=C1O)C(=CN2)CC(C(=O)O)N CH$IUPAC: InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16) CH$LINK: INCHIKEY LDCYZAJDBXYCGN-UHFFFAOYSA-N CH$LINK: KEGG C00643 CH$LINK: PUBCHEM CID:144
AC$INSTRUMENT: API QSTAR Pulsar i AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-0900000000-b656dc85b8aff47fea96 PK$NUM_PEAK: 66 PK$PEAK: m/z int. rel.int. 41.038 183.765 17 43.020 151.793 14 43.049 77.072 6 55.052 136.355 12 57.072 112.052 10 59.042 49.801 3 65.031 46.833 3 67.045 126.892 11 69.068 119.721 10 71.055 33.197 2 73.037 87.749 7 74.022 253.785 24 77.038 88.934 7 79.054 265.637 25 81.091 43.277 3 83.091 26.683 1 89.039 75.886 6 91.047 131.574 12 92.058 55.727 4 93.056 59.283 4 95.095 34.980 2 103.054 849.004 83 104.052 118.526 10 105.049 64.622 5 105.067 369.920 35 106.064 2080.677 207 107.048 1105.578 109 108.046 78.257 6 109.114 28.456 1 114.044 33.197 2 115.053 1153.387 114 116.049 784.960 77 117.055 846.016 83 118.066 170.119 16 119.088 57.510 4 120.077 173.108 16 121.005 43.874 3 121.021 107.271 9 121.063 97.231 8 123.071 55.727 4 128.063 64.622 5 129.063 33.197 2 130.066 1289.841 127 131.054 2466.135 245 132.078 578.685 56 133.054 1450.199 144 133.944 66.404 5 134.062 10000.000 999 135.065 270.319 26 140.044 147.012 13 141.057 97.231 8 142.060 226.494 21 143.066 227.689 21 144.052 339.741 32 145.060 104.382 9 146.055 1603.586 159 147.060 125.697 11 148.070 736.355 72 157.038 47.430 3 158.057 1792.829 178 159.066 3219.124 320 160.076 837.151 82 161.083 88.337 7 162.055 1255.976 124 175.081 99.602 8 186.053 215.837 20 //