MassBank Record: CB000269



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

ACCESSION: CB000269
RECORD_TITLE: 2-dimethylaminoethyl cinnamate; 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, Carboxylic acids

CH$NAME: 2-dimethylaminoethyl cinnamate CH$COMPOUND_CLASS: Carbohydrates CH$FORMULA: C13H17NO2 CH$EXACT_MASS: 219.28593999999998 CH$SMILES: CN(C)CCOC(=O)/C=C/c1ccccc1 CH$IUPAC: InChI=1S/C13H17NO2/c1-14(2)10-11-16-13(15)9-8-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3/b9-8+ CH$LINK: INCHIKEY BWJAQVSVFPHGSU-CMDGGOBGSA-N
AC$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$SPLASH: splash10-00xr-0960000000-8b457545fa6ef859c0f2 PK$NUM_PEAK: 92 PK$PEAK: m/z int. rel.int. 102.4000 1325719.6250 130 102.5000 2750758.5000 271 102.6000 3843711.2500 379 102.7000 4197893.0000 414 102.8000 4248865.5000 419 102.9000 5156743.0000 509 103.0000 4389094.5000 433 103.1000 3873901.5000 382 103.2000 3599350.5000 355 103.3000 3593443.7500 354 103.4000 3070812.2500 302 103.5000 881625.5000 86 103.6000 344337.0313 33 103.7000 419154.9063 40 103.8000 383714.8438 36 103.9000 414779.6250 40 104.0000 383714.8438 36 104.1000 335586.4063 32 104.2000 288114.2813 27 104.3000 230141.4063 21 104.4000 239767.0938 22 117.8000 261206.1563 24 130.4000 2679441.5000 264 130.5000 5245998.0000 517 130.6000 6265447.0000 618 130.7000 6816956.0000 673 130.8000 6258227.5000 618 130.9000 6706478.5000 662 131.0000 6487713.5000 640 131.1000 6004678.0000 592 131.2000 5127647.0000 506 131.3000 4549887.0000 449 131.4000 4629736.5000 456 131.5000 1974359.6250 194 131.6000 747084.5625 72 131.7000 912252.5625 89 131.8000 800244.5625 78 131.9000 859530.0000 84 132.0000 824527.5000 80 132.1000 652359.1250 63 132.2000 730020.8750 71 132.3000 533131.7500 51 132.4000 730677.1250 71 174.3000 499441.9063 48 174.4000 2756009.2500 271 174.5000 3784207.2500 373 174.6000 4447504.5000 438 174.7000 4801466.5000 473 174.8000 5032046.5000 496 174.9000 4182798.5000 412 175.0000 3713764.2500 366 175.1000 3479904.7500 343 175.2000 3872151.7500 382 175.3000 3425869.7500 337 175.4000 3272514.7500 322 175.5000 1506638.7500 148 175.6000 706175.3125 68 175.7000 727614.4375 70 175.8000 692612.0000 67 175.9000 761960.5625 74 176.0000 844216.5000 82 176.1000 580385.0625 56 176.2000 726958.1250 70 176.3000 563758.8125 54 176.4000 473846.3125 45 219.4000 1513201.6250 148 219.5000 6080808.5000 600 219.6000 8354440.5000 825 219.7000 9389637.0000 927 219.8000 9399045.0000 928 219.9000 9827170.0000 971 220.0000 10066500.0000 994 220.1000 10109815.0000 999 220.2000 9447392.0000 933 220.3000 9064991.0000 895 220.4000 8716715.0000 861 220.5000 5086738.5000 502 220.6000 2610530.2500 257 220.7000 2376669.2500 234 220.8000 2311258.2500 227 220.9000 2104087.2500 207 221.0000 2329635.2500 229 221.1000 2262473.7500 222 221.2000 2037801.8750 200 221.3000 2487802.7500 245 221.4000 3109972.0000 306 221.5000 1115048.1250 109 221.6000 330554.8125 31 221.7000 264925.1250 25 222.0000 454157.4063 43 222.1000 1009603.1875 98 222.2000 224453.5000 21 //