MassBank Record: MSBNK-Keio_Univ-KO002205
ACCESSION: MSBNK-Keio_Univ-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$LINK: PUBCHEM
SID:13532
CH$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 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
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114.000 242574.5 2
115.300 361386.5 4
116.000 74257.5 1
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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
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147.800 39604.0 1
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170.500 24752.5 1
//