MassBank Record: KO002205



 Anabasine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002205
RECORD_TITLE: Anabasine; LC-ESI-QQ; MS2; CE:30 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 163 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00l6-7900000000-e6bcf02e1205950963c4 PK$NUM_PEAK: 71 PK$PEAK: m/z int. rel.int. 30.100 198020.0 2 41.100 168317.0 2 42.100 19802.0 1 43.100 24752.5 1 43.800 69307.0 1 46.100 866337.5 9 54.000 54455.5 1 55.200 108911.0 1 56.200 574258.0 6 58.100 34653.5 1 65.200 1133664.5 12 67.000 1277229.0 13 68.400 173267.5 2 69.800 1980200.0 20 71.900 618812.5 6 73.900 99010.0 1 76.900 504951.0 5 78.100 504951.0 5 79.200 1202971.5 12 80.000 65287194.0 665 80.900 133663.5 1 82.100 3000003.0 31 84.200 24460420.5 249 85.300 19802.0 1 86.100 54455.5 1 90.000 143564.5 1 91.200 19029722.0 194 92.100 98009999.0 999 93.100 9693079.0 99 94.100 54990154.0 561 94.900 113861.5 1 96.100 267327.0 3 96.400 64356.5 1 100.000 74257.5 1 100.900 29703.0 1 101.400 24752.5 1 103.200 1292080.5 13 104.100 267327.0 3 104.900 1009902.0 10 106.000 5202975.5 53 107.000 1702972.0 17 108.200 495050.0 5 109.000 54455.5 1 110.500 579208.5 6 114.000 242574.5 2 115.300 361386.5 4 116.000 74257.5 1 117.200 50618862.5 516 118.200 97945642.5 998 119.100 2643567.0 27 120.200 46326779.0 472 121.300 178218.0 2 127.300 326733.0 3 128.200 1727724.5 18 129.000 3613865.0 37 130.100 29346564.0 299 131.000 25257451.0 257 132.200 2356438.0 24 133.100 594060.0 6 134.100 16237640.0 166 135.200 183168.5 2 136.300 99010.0 1 141.900 94059.5 1 143.100 262376.5 3 144.200 10188129.0 104 145.200 569307.5 6 146.100 29638643.5 302 147.800 39604.0 1 160.800 99010.0 1 163.200 27173294.5 277 170.500 24752.5 1 //