MassBank Record: MCH00010

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

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

ACCESSION: MCH00010
RECORD_TITLE: 3-Hydroxypicolinic acid; MALDI-TOF; MS; Neg
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] MCH00010.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 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$SPLASH: splash10-000i-0940200000-b35663713f75c1706fbf
PK$ANNOTATION: m/z ion
  138.02 [M-H]-
  231.04 [2M-2H+Na]-
  438.12 [3M-2H+Na]-
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  138.01857 72311 999
  138.238276 8014 111
  139.005383 3499 48
  139.052472 1936 27
  231.04003 8811 122
  231.129431 5903 82
  232.0543 3840 53
  232.154751 2263 31
  233.050061 2341 32
  233.110253 1657 23
  275.034693 1501 21
  277.073744 1927 27
  299.061198 12663 175
  306.093294 2159 30
  438.123357 7855 109
  439.109915 1647 23
  440.150931 1672 23
  454.134551 3960 55
  460.114074 1663 23
  470.073331 4665 64
  478.055637 1916 26
//