MassBank Record: MSBNK-Keio_Univ-KO002204
ACCESSION: MSBNK-Keio_Univ-KO002204
RECORD_TITLE: Anabasine; LC-ESI-QQ; MS2; CE:20 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 A068
CH$NAME: Anabasine
CH$NAME: (-)-Anabasine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14N2
CH$EXACT_MASS: 162.11570
CH$SMILES: C(C2)CNC(C2)c(c1)cncc1
CH$IUPAC: InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2/t10-/m0/s1
CH$LINK: CAS
494-52-0
CH$LINK: KEGG
C11357
CH$LINK: NIKKAJI
J3.284K
CH$LINK: PUBCHEM
SID:13532
CH$LINK: INCHIKEY
MTXSIJUGVMTTMU-JTQLQIEISA-N
CH$LINK: COMPTOX
DTXSID9041607
AC$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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 163
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-1900000000-6127c0c983559750b847
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
40.600 118812.0 1
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55.300 217822.0 1
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59.200 29703.0 1
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164.100 59406.0 1
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//
system version 2.2.6-SNAPSHOT