MassBank Record: MCH00015



 Sinapic acid; MALDI-TOF; MS; Pos 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: MCH00015
RECORD_TITLE: Sinapic acid; MALDI-TOF; MS; Pos
DATE: 2016.01.19 (2010.10.06, 2011.05.11)
AUTHORS: Wada YOsaka Medical Center for Maternal and Child Health, Osaka Medical Center for Maternal and Child Health
LICENSE: CC BY-SA
COMMENT: Profile spectrum of this record is given as a JPEG file.
COMMENT: [Profile] MCH00015.jpg

CH$NAME: Sinapinic acid CH$NAME: Sinapic acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C11H12O5 CH$EXACT_MASS: 224.06847 CH$SMILES: COc(c1)c(O)c(OC)cc(C=CC(O)=O)1 CH$IUPAC: InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+ CH$LINK: INCHIKEY PCMORTLOPMLEFB-ONEGZZNKSA-N CH$LINK: COMPTOX DTXSID40862129
AC$INSTRUMENT: Voyager DE-PRO, Applied Biosystems AC$INSTRUMENT_TYPE: MALDI-TOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: LASER UV 337 nm nitrogen lazer, 20 Hz, 10 nsec AC$MASS_SPECTROMETRY: SAMPLE_DRIPPING 10 mg/mL AC$CHROMATOGRAPHY: SOLVENT 50% acetonitrile
PK$SPLASH: splash10-0a6r-0090000000-538c48c61575de9e44b1 PK$ANNOTATION: m/z ion 449.14 [2M+H]+ 431.13 [2M+H-H2O]+ 225.07 [M+H]+ 207.07 [M+H-H2O]+ PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 167.065538 3038 36 179.070634 3572 42 193.075064 2159 26 207.06505 84534 999 208.06696 24054 284 209.074054 3527 42 223.062317 5654 67 224.072342 28769 340 225.074853 55127 651 226.080642 11274 133 227.083367 1742 21 237.074758 3072 36 239.094458 1949 23 247.055725 2800 33 288.292868 3190 38 358.165778 1920 23 386.146004 1771 21 387.134701 5279 62 388.144932 1830 22 389.137733 1754 21 431.131762 3240 38 449.136053 2606 31 471.127596 1859 22 //

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