MassBank Record: MSBNK-RIKEN_NPDepo-CB000208
ACCESSION: MSBNK-RIKEN_NPDepo-CB000208
RECORD_TITLE: 2'-N-denrthyl-N-3'-methylaplysinopsin; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Animal
COMMENT: SubCategory_DNP: Aminoacids, Cyclic amino acids, Aromatic amino acids
CH$NAME: 2'-N-denrthyl-N-3'-methylaplysinopsin
CH$COMPOUND_CLASS: Aminoacids and peptides
CH$FORMULA: C12H9N3O2
CH$EXACT_MASS: 227.2244
CH$SMILES: OC1=N/C(=C\c2c[nH]c3ccccc23)C(O)=N1
CH$IUPAC: InChI=1S/C12H9N3O2/c16-11-10(14-12(17)15-11)5-7-6-13-9-4-2-1-3-8(7)9/h1-6,13H,(H2,14,15,16,17)/b10-5-
CH$LINK: INCHIKEY
WJZHVBZSCOLDKV-YHYXMXQVSA-N
AC$INSTRUMENT: ABSciex API3200 LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-004i-0390000000-7abbf38bbdee256ed15f
PK$NUM_PEAK: 206
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