ACCESSION: MSBNK-Keio_Univ-KO003768
RECORD_TITLE: Pralidoxime; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID P056

CH$NAME: Pralidoxime
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₈N₂O
CH$EXACT_MASS: 136.064
CH$SMILES: CN1C=CC=CC1=CN=O
CH$IUPAC: InChI=1S/C7H8N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-6H,1H3/b7-6+
CH$LINK: CAS 6735-59-7
CH$LINK: KEGG C07400
CH$LINK: NIKKAJI J232.003G
CH$LINK: PUBCHEM SID:9604
CH$LINK: INCHIKEY JBKPUQTUERUYQE-VOTSOKGWSA-N

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 137
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-000i-0900000000-20fdfd5334ead907481e
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  40.700 19802.0 1
  50.000 19802.0 1
  50.600 24752.5 1
  55.200 400990.5 4
  58.300 24752.5 1
  60.200 99010.0 1
  62.300 19802.0 1
  63.300 19802.0 1
  69.900 29703.0 1
  72.900 113861.5 1
  77.000 163366.5 2
  79.100 24752.5 1
  83.200 292079.5 3
  84.000 39604.0 1
  87.200 128713.0 1
  92.100 39604.0 1
  93.200 316832.0 3
  95.200 19802.0 1
  100.800 24752.5 1
  102.200 178218.0 2
  105.000 8900999.0 83
  119.100 2425745.0 23
  120.000 1811883.0 17
  122.800 64356.5 1
  137.100 106559512.5 999
//