MassBank Record: CB000080



 hordenine; LC-ESI-QQQ; MS; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: CB000080
RECORD_TITLE: hordenine; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa TCSRS, RIKEN, Okano ACSRS, RIKEN, CSRS, RIKEN
LICENSE: BY-CC
COMMENT: Origin: Plant
COMMENT: Formula(Parent): C10H15NO
COMMENT: Bottle Name:Hordenine sulfate
COMMENT: PRIME Parent Name:Hordenine
COMMENT: PRIME in-house No.:V0301
COMMENT: SubCategory_DNP: Alkaloids derived wholly or in part from phenylalanine or tyrosine, Cactus alkaloids

CH$NAME: Anhalin CH$NAME: Anhaline CH$NAME: Cactine CH$NAME: N,N-dimethyltyramine CH$NAME: 4-(2-(dimethylamino)ethyl)phenol CH$NAME: 4-Hydroxy-N,N-dimethylphenethylamine CH$NAME: hordenine CH$COMPOUND_CLASS: Alkaloids CH$FORMULA: C10H15NO CH$EXACT_MASS: 165.23715 CH$SMILES: CN(C)CCc1ccc(O)cc1 CH$IUPAC: InChI=1S/C10H15NO/c1-11(2)8-7-9-3-5-10(12)6-4-9/h3-6,12H,7-8H2,1-2H3 CH$LINK: CAS 539-15-1 CH$LINK: PUBCHEM CID:61609 CH$LINK: INCHIKEY KUBCEEMXQZUPDQ-UHFFFAOYSA-N
AC$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$SPLASH: splash10-00di-0900000000-bbd4d2d8362d2654e843 PK$NUM_PEAK: 72 PK$PEAK: m/z int. rel.int. 101.2000 162061.5781 22 101.3000 330423.6563 47 101.4000 498085.6250 71 101.5000 509986.4688 73 101.8000 153310.9688 21 102.0000 169412.1094 23 102.5000 269869.2813 38 102.6000 326223.3125 46 102.7000 204414.6094 28 102.8000 320972.9063 46 102.9000 337424.1250 48 103.0000 286670.4688 40 103.1000 336024.0313 48 103.2000 451882.3125 65 103.3000 386777.6563 55 103.4000 316072.5938 45 118.9000 184113.1719 25 119.1000 165911.8281 23 119.4000 156811.2031 21 119.5000 323073.1250 46 119.6000 501235.7500 72 119.7000 418980.0938 60 119.8000 347574.8750 49 119.9000 195664.0156 27 120.0000 222965.9531 31 120.1000 316072.5625 45 120.2000 180612.9063 25 120.4000 3536302.5000 517 120.5000 6352253.0000 929 120.6000 6825487.5000 999 120.7000 6583621.5000 963 120.8000 6510465.5000 952 120.9000 6365204.5000 931 121.0000 6086585.0000 890 121.1000 5855219.0000 856 121.2000 5630851.5000 823 121.3000 5302179.5000 775 121.4000 4189799.0000 612 121.5000 2241560.0000 327 121.6000 939817.1875 136 121.7000 764104.6250 110 121.8000 881713.0000 128 121.9000 932116.6250 135 122.0000 979720.0625 142 122.1000 922315.9375 134 122.2000 993370.9375 144 122.3000 703900.3125 102 122.4000 617794.1250 89 122.5000 331823.6563 47 165.4000 1966790.6250 287 165.5000 3518801.2500 514 165.6000 4931502.5000 721 165.7000 5528996.0000 809 165.8000 5654654.0000 827 165.9000 5751961.5000 841 166.0000 5967226.5000 873 166.1000 5490141.5000 803 166.2000 5042110.0000 737 166.3000 4318609.0000 631 166.4000 4053289.7500 592 166.5000 2442824.5000 356 166.6000 1521558.7500 221 166.7000 826409.0000 120 166.8000 859311.4375 124 166.9000 917065.5625 133 167.0000 3092120.5000 452 167.1000 759554.2500 110 167.2000 338474.0938 48 167.3000 312572.3438 44 167.4000 305571.8750 43 179.8000 154711.0469 21 391.2000 215615.4375 30 //