MassBank Record: PB001402



 5-Hydroxytryptophan; LC-ESI-QTOF; MS2; CE:25 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB001402
RECORD_TITLE: 5-Hydroxytryptophan; LC-ESI-QTOF; MS2; CE:25 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$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-0910000000-5e6f9e21dd30ec8c20f3 PK$NUM_PEAK: 46 PK$PEAK: m/z int. rel.int. 41.038 32.200 2 43.018 37.414 2 55.062 28.825 1 57.062 146.883 13 59.044 31.278 2 69.062 50.907 4 71.092 57.032 4 73.035 43.545 3 74.023 93.818 8 81.067 30.052 2 91.056 83.411 7 95.094 50.907 4 105.081 41.705 3 106.066 89.541 7 109.109 54.611 4 115.048 65.327 5 116.050 36.801 2 117.062 89.541 7 119.103 27.295 1 121.022 76.971 6 121.054 43.545 3 131.053 135.858 12 132.082 424.111 41 133.092 145.028 13 134.060 2385.368 237 135.072 83.411 7 137.058 58.269 4 139.053 37.718 2 142.075 98.145 8 143.079 56.414 4 146.056 324.472 31 147.060 65.327 5 148.072 504.482 49 158.059 857.290 84 159.065 391.911 38 160.073 2307.573 229 161.083 68.676 5 162.053 10000.000 999 163.053 237.352 22 175.085 633.694 62 175.135 65.327 5 176.074 99.382 8 186.055 1017.001 100 203.174 34.348 2 204.066 3405.461 339 205.075 152.087 14 //