MassBank Record: MSBNK-Osaka_MCHRI-MCH00010
ACCESSION: MSBNK-Osaka_MCHRI-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
//