MassBank Record: MCH00012

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2',4',6'-Trihydroxyaceto-phenone; MALDI-TOF; MS; Neg
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n
metabolomics-usi visualisation

ACCESSION: MCH00012
RECORD_TITLE: 2',4',6'-Trihydroxyaceto-phenone; MALDI-TOF; MS; Neg
DATE: 2016.01.19 (2010.10.06, 2011.05.11)
AUTHORS: Wada Y, 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] MCH00012.jpg

CH$NAME: 2',4',6'-Trihydroxyaceto-phenone CH$NAME: THAP CH$COMPOUND_CLASS: Non-Natural Product CH$FORMULA: C8H8O4 CH$EXACT_MASS: 168.04226 CH$SMILES: CC(=O)c(c(O)1)c(O)cc(O)c1 CH$IUPAC: InChI=1S/C8H8O4/c1-4(9)8-6(11)2-5(10)3-7(8)12/h2-3,10-12H,1H3 CH$LINK: INCHIKEY XLEYFDVVXLMULC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5060061 CH$LINK: PUBCHEM CID:68073
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 10 mg/mL AC$CHROMATOGRAPHY: SOLVENT 50% acetonitrile
PK$SPLASH: splash10-014i-0905000000-fcdd125d9f0228c558fd PK$ANNOTATION: m/z ion 335.08 [2M-H]- 167.03 [M-H]- PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 167.03389 36627 999 168.040758 3517 96 333.079965 6010 164 334.092917 1224 33 335.07614 7775 212 336.098403 1477 40 347.115671 1187 32 349.075304 782 21 357.073039 1956 53 365.040698 995 27 373.073473 1430 39 //