MassBank Record: MCH00005



 alpha-Cyano-4-hydroxycinnamic acid; MALDI-TOF; MS; Pos 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: MCH00005
RECORD_TITLE: alpha-Cyano-4-hydroxycinnamic 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] MCH00005.jpg

CH$NAME: alpha-cyano-4-hydroxycinnamic acid CH$COMPOUND_CLASS: Non-Natural Product CH$FORMULA: C10H7NO3 CH$EXACT_MASS: 189.04259 CH$SMILES: C1=CC(=CC=C1/C=C(\C#N)/C(=O)O)O CH$IUPAC: InChI=1S/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)/b8-5+ CH$LINK: INCHIKEY AFVLVVWMAFSXCK-VMPITWQZSA-N CH$LINK: PUBCHEM CID:5328791
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 saturated AC$CHROMATOGRAPHY: SOLVENT 50% acetonitrile
PK$SPLASH: splash10-00di-0911000000-bad95f92d8722ed2f096 PK$ANNOTATION: m/z ion 379.09 [2M+H]+ 234.00 [M-H+2Na]+ 212.02 [M+Na]+ 190.04 [M+H]+ 172.04 [M-H2O+H]+ 146.06 [M-CO2+H]+ PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 122.05402 5940 25 144.057998 29004 120 145.058852 6565 27 146.055956 83901 347 147.05068 24242 100 172.041084 241835 999 173.040474 69094 285 173.385838 5969 25 174.047758 10941 45 189.041715 12107 50 190.044203 89593 370 191.050584 25206 104 192.060763 10807 45 212.023681 37521 155 213.030044 4977 21 215.149303 28833 119 234.009679 15019 62 288.290159 20038 83 294.087107 5904 24 312.365808 7177 30 316.326063 6033 25 335.107826 15178 63 368.431678 8866 37 379.094165 68222 282 380.102079 14930 62 //

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