MassBank Record: MCH00004



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

ACCESSION: MCH00004
RECORD_TITLE: alpha-Cyano-4-hydroxycinnamic acid; MALDI-TOF; MS; Neg
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] MCH00004.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 NEGATIVE 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: splash10-000l-1900000000-1cda4704431c800521a5 PK$ANNOTATION: m/z ion 189.03 [M]- 188.03 [M-H]- 144.05 [M-CO2H]- 93.03 [M-C4O2NH2]- PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 49.987842 16957 78 93.03349 52497 240 93.125954 13162 60 144.052078 184733 845 145.049602 28573 131 148.580678 43373 198 188.03422 218516 999 188.132928 84283 385 188.25078 39248 179 188.643956 4930 23 189.03626 87047 398 189.140898 12266 56 190.037688 10252 47 //

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