MassBank Record: JP001409



 DOPA; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001409
RECORD_TITLE: DOPA; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: DOPA CH$NAME: 3-(3,4-DIHYDROXYPHENYL)-L-ALANINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H11NO4 CH$EXACT_MASS: 197.06881 CH$SMILES: OC(=O)C([H])(N)Cc(c1)cc(O)c(O)c1 CH$IUPAC: InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m1/s1
AC$INSTRUMENT: HITACHI M-80 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00di-0900000000-4b71794a9097b3fcc84d PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 74 2.8 28 75 1.7 17 77 2 20 105 0.12 1 107 1.7 17 123 99.99 999 124 15.9 159 125 0.14 1 136 1.3 13 152 4.8 48 197 15.8 158 198 3.8 38 //