ACCESSION: MSBNK-RIKEN_NPDepo-CB000034
RECORD_TITLE: anabasamine; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Alkaloids derived from lysine, Quinolizidine alkaloids
CH$NAME: anabasamine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C16H22Cl3N3
CH$EXACT_MASS: 362.7328
CH$SMILES: CN1CCCCC1c1ccc(-c2cccnc2)nc1.Cl.Cl.Cl
CH$IUPAC: InChI=1S/C16H19N3.3ClH/c1-19-10-3-2-6-16(19)14-7-8-15(18-12-14)13-5-4-9-17-11-13;;;/h4-5,7-9,11-12,16H,2-3,6,10H2,1H3;3*1H
CH$LINK: CAS
20410-87-1
CH$LINK: CHEMSPIDER
141703 388138
CH$LINK: INCHIKEY
ZIHLGGJGJAYMRK-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:44654673
AC$INSTRUMENT: ABSciex API3200 LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0udi-0690000000-99e16293591a04fb6535
PK$NUM_PEAK: 163
PK$PEAK: m/z int. rel.int.
100.4000 518037.0938 88
100.5000 706550.6250 121
100.6000 780556.0000 133
100.7000 770388.4375 132
100.8000 860061.5000 147
100.9000 695883.1250 119
101.0000 516703.6563 88
101.1000 410529.4063 69
101.2000 230183.1250 38
116.6000 196847.3906 33
116.9000 176679.2813 29
117.0000 147510.5781 24
117.1000 146843.8438 24
117.2000 182513.0469 30
117.3000 164178.4063 27
118.9000 259018.5313 43
119.7000 167845.3281 28
120.1000 139676.6719 23
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127.0000 2051813.2500 353
127.1000 2945210.5000 507
127.2000 3117389.2500 537
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127.4000 3847274.7500 663
127.5000 3220396.7500 555
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128.2000 663547.4375 113
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128.4000 507036.2500 86
128.5000 294854.4063 49
168.6000 214015.2969 35
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255.7000 286853.8438 48
255.8000 146343.7813 24
255.9000 145843.7656 24
256.0000 127675.7813 21
256.1000 153344.2969 25
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