ACCESSION: MSBNK-Keio_Univ-KO003769
RECORD_TITLE: Pralidoxime; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-00kr-1900000000-28213070bfa027f76396
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  58.100 44554.5 2
  59.800 69307.0 2
  60.500 9901.0 1
  62.200 39604.0 1
  77.800 94059.5 3
  79.700 59406.0 2
  82.900 34653.5 1
  92.200 891090.0 31
  93.100 10272287.5 359
  95.900 24752.5 1
  101.700 19802.0 1
  105.200 94059.5 3
  108.200 653466.0 23
  109.300 59406.0 2
  110.000 316832.0 11
  119.100 25975273.5 907
  120.100 9475257.0 331
  137.300 28608939.5 999
//