MassBank Record: MCH00011



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

ACCESSION: MCH00011
RECORD_TITLE: 3-Hydroxypicolinic 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] MCH00011.jpg

CH$NAME: 3-Hydroxypicolinic acid CH$NAME: HPA CH$COMPOUND_CLASS: Non-Natural Product CH$FORMULA: C6H5NO3 CH$EXACT_MASS: 139.02694 CH$SMILES: OC(=O)c(n1)c(O)ccc1 CH$IUPAC: InChI=1S/C6H5NO3/c8-4-2-1-3-7-5(4)6(9)10/h1-3,8H,(H,9,10) CH$LINK: INCHIKEY BRARRAHGNDUELT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80236320
AC$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$SPLASH: splash10-000e-8970000000-7abded55ec24c84287a7 PK$ANNOTATION: m/z ion 279.06 [2M+H]+ 235.08 [2M+H-CO2]+ 189.07 [2M-H-2CO2]+ 140.03 [M+H]+ 96.03 [M+H-CO2]+ PK$NUM_PEAK: 45 PK$PEAK: m/z int. rel.int. 28.045878 2778 58 39.068303 3032 64 39.158162 2209 46 41.095535 1182 25 52.077305 1392 29 54.071885 1343 28 66.122635 1193 25 78.093368 1711 36 94.085812 7826 164 94.180481 3417 72 94.297835 1015 21 96.028096 43387 910 96.119134 25360 532 97.034549 3570 75 122.077371 5939 125 122.18124 985 21 123.504211 2266 48 140.030702 47607 999 140.1195 9670 203 141.037818 4117 86 162.026142 4576 96 184.029187 1148 24 189.072202 18218 382 190.081251 3697 78 191.090535 2102 44 217.094751 2754 58 218.310509 2114 44 233.072279 12496 262 234.07775 10050 211 235.078981 39917 838 236.084972 6317 133 237.08854 1422 30 261.075531 1425 30 279.06116 4570 96 282.121419 1355 28 283.128133 969 20 284.130046 2572 54 288.337855 2014 42 301.076328 1306 27 316.38401 1524 32 327.126319 1147 24 328.115663 4109 86 329.13529 957 20 372.108967 1578 33 484.103183 1215 25 //

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