MassBank Record: KO002206



 Anabasine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002206
RECORD_TITLE: Anabasine; 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 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 163 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00l6-9700000000-da18b65d767c78a091ff PK$NUM_PEAK: 65 PK$PEAK: m/z int. rel.int. 30.200 222772.5 4 41.100 326733.0 6 42.200 54455.5 1 43.300 54455.5 1 44.000 94059.5 2 46.200 410891.5 7 51.200 24752.5 1 53.000 430693.5 7 55.000 420792.5 7 56.300 1920794.0 33 65.200 10539614.5 178 66.200 207921.0 4 67.100 2326735.0 39 68.300 188119.0 3 70.000 856436.5 14 72.100 123762.5 2 73.200 24752.5 1 77.100 2059408.0 35 78.000 2767329.5 47 79.100 3960400.0 67 80.200 50366387.0 853 81.200 118812.0 2 82.100 539604.5 9 84.200 20079228.0 340 87.200 9901.0 1 89.100 391089.5 7 90.000 2569309.5 43 91.000 49574307.0 839 91.900 47861434.0 810 93.000 17178235.0 291 94.100 12806943.5 217 95.300 163366.5 3 96.000 420792.5 7 101.000 34653.5 1 102.100 89109.0 2 103.100 1603962.0 27 104.200 722773.0 12 105.000 1143565.5 19 106.300 7425750.0 126 107.300 688119.5 12 108.300 59406.0 1 108.900 54455.5 1 110.200 782179.0 13 113.100 29703.0 1 115.300 851486.0 14 116.100 366337.0 6 117.200 59009960.0 999 118.100 47722820.0 808 119.200 1297031.0 22 120.200 8341592.5 141 121.000 29703.0 1 127.000 534654.0 9 128.100 2024754.5 34 129.100 925743.5 16 130.200 36485185.0 618 131.000 7128720.0 121 132.100 2970300.0 50 133.000 94059.5 2 134.300 1688120.5 29 142.200 292079.5 5 143.300 881189.0 15 144.200 4737628.5 80 145.300 277228.0 5 146.300 1717823.5 29 163.300 356436.0 6 //