ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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$IUPAC: InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m1/s1
CH$LINK: INCHIKEY WTDRDQBEARUVNC-ZCFIWIBFSA-N
CH$LINK: COMPTOX DTXSID70206673

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
//