MassBank Record: MSBNK-Keio_Univ-KO002186
ACCESSION: MSBNK-Keio_Univ-KO002186
RECORD_TITLE: Amantadine; 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 A061
CH$NAME: 1-Adamantanamine
CH$NAME: Amantadine
CH$COMPOUND_CLASS: Non-Natural Product
CH$FORMULA: C10H17N
CH$EXACT_MASS: 151.13610
CH$SMILES: NC(C3)(C1)CC(C2)CC(CC23)1
CH$IUPAC: InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2
CH$LINK: CAS
768-94-5
CH$LINK: CHEBI
2618
CH$LINK: KEGG
C06818
CH$LINK: NIKKAJI
J6.971J
CH$LINK: PUBCHEM
SID:9036
CH$LINK: INCHIKEY
DKNWSYNQZKUICI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8022117
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 152
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-002u-9600000000-048cdcfd022184f574b6
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
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//
system version 2.2.6-SNAPSHOT