ACCESSION: MSBNK-Keio_Univ-KO002286
RECORD_TITLE: 9-Amino-1,2,3,4-tetrahydroacridine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID A123

CH$NAME: 9-Amino-1,2,3,4-tetrahydroacridine
CH$NAME: Tacrine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₄N₂
CH$EXACT_MASS: 198.11570
CH$SMILES: Nc(c21)c(c3)c(ccc3)nc(CCCC2)1
CH$IUPAC: InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
CH$LINK: CAS 321-64-2
CH$LINK: KEGG C01453
CH$LINK: NIKKAJI J5.670G
CH$LINK: PUBCHEM SID:4630
CH$LINK: INCHIKEY YLJREFDVOIBQDA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1037272

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 199
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-006t-0900000000-3c9902ca237f9c26a2fb
PK$NUM_PEAK: 70
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//