MassBank Record: KO002203



 Anabasine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002203
RECORD_TITLE: Anabasine; LC-ESI-QQ; MS2; CE:10 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$LINK: PUBCHEM SID:13532
AC$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 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 163 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-0900000000-3e2b987d9c72c41572d4 PK$NUM_PEAK: 46 PK$PEAK: m/z int. rel.int. 46.000 1405942.0 1 53.800 34653.5 1 55.100 287129.0 1 59.100 485149.0 1 70.600 29703.0 1 71.100 34653.5 1 71.900 108911.0 1 73.000 1579209.5 1 74.000 54455.5 1 76.900 366337.0 1 80.100 564357.0 1 80.800 247525.0 1 82.400 94059.5 1 84.000 173267.5 1 88.600 44554.5 1 89.800 79208.0 1 91.100 430693.5 1 91.800 579208.5 1 94.200 1009902.0 1 99.100 836634.5 1 100.200 39604.0 1 103.000 34653.5 1 104.100 34653.5 1 104.400 44554.5 1 106.300 49505.0 1 107.100 99010.0 1 108.300 54455.5 1 109.200 29703.0 1 113.100 188119.0 1 114.400 529703.5 1 116.900 509901.5 1 118.000 4792084.0 4 120.000 5391094.5 4 122.100 59406.0 1 127.300 54455.5 1 128.000 594060.0 1 128.500 99010.0 1 130.100 450495.5 1 131.000 881189.0 1 133.900 1579209.5 1 144.000 336634.0 1 145.000 485149.0 1 146.100 6297036.0 5 163.300 1225956671.5 999 164.400 64356.5 1 181.000 113861.5 1 //