MassBank Record: PB001419



 Serotonin; 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: PB001419
RECORD_TITLE: Serotonin; 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: 741
COMMENT: CONFIDENCE: confident structure

CH$NAME: Serotonin CH$NAME: 3-(2-aminoethyl)-1H-indol-5-ol CH$COMPOUND_CLASS: Natural Product; Indole CH$FORMULA: C10H12N2O CH$EXACT_MASS: 176.09496 CH$SMILES: C1=CC2=C(C=C1O)C(=CN2)CCN CH$IUPAC: InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 CH$LINK: INCHIKEY QZAYGJVTTNCVMB-UHFFFAOYSA-N CH$LINK: KEGG C00780 CH$LINK: PUBCHEM CID:5202
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: splash10-0159-4900000000-a8fc7dff385a4f51b88a PK$NUM_PEAK: 55 PK$PEAK: m/z int. rel.int. 39.020 90.120 8 43.015 118.211 10 51.941 143.942 13 53.041 86.606 7 54.034 147.456 13 55.018 354.633 34 55.935 121.701 11 56.942 682.231 67 63.021 158.565 14 65.037 2059.720 204 66.043 218.850 20 67.040 1350.455 134 67.934 678.791 66 68.940 136.913 12 70.956 98.304 8 72.935 564.021 55 77.037 3366.921 335 78.044 644.139 63 79.052 2619.808 260 80.047 290.735 28 89.038 1771.934 176 90.045 1071.516 106 91.055 1113.050 110 92.053 112.337 10 93.056 142.787 13 94.042 659.376 64 95.050 891.865 88 96.939 279.676 26 102.046 127.550 11 103.055 1762.350 175 104.051 1263.947 125 105.067 3185.058 317 106.053 413.124 40 107.049 483.411 47 113.037 62.030 5 114.046 232.293 22 115.054 10000.000 999 116.052 1372.082 136 117.058 5615.630 560 118.054 170.853 16 128.051 215.335 20 130.066 3607.766 359 131.066 2727.943 271 132.076 1143.278 113 133.055 2890.145 288 134.065 142.197 13 140.051 593.266 58 141.057 913.984 90 142.066 991.890 98 143.071 1579.258 156 144.052 387.319 37 145.052 310.150 30 158.062 761.858 75 159.069 2290.243 228 160.077 281.396 27 //