MassBank Record: MCH00011

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3-Hydroxypicolinic acid; MALDI-TOF; MS; Pos

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MCH00011
RECORD_TITLE: 3-Hydroxypicolinic acid; MALDI-TOF; MS; Pos
DATE: 2016.01.19 (Created 2010.10.06, modified 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] 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$LINK: COMPTOX DTXSID80236320
CH$LINK: PUBCHEM CID:13401

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
  96.03 [M+H-CO2]+
  140.03 [M+H]+
  189.07 [2M-H-2CO2]+
  235.08 [2M+H-CO2]+
  279.06 [2M+H]+
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
//