ACCESSION: MSBNK-Keio_Univ-KO003772
RECORD_TITLE: Pralidoxime; LC-ESI-QQ; MS2; CE:50 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 50 V

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

PK$SPLASH: splash10-014l-9000000000-dcac00013d3eaf2dd6d9
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  39.200 44554.5 16
  40.100 49505.0 17
  51.200 128713.0 45
  53.100 34653.5 12
  65.100 2118814.0 737
  66.200 2450497.5 853
  67.200 821783.0 286
  76.000 44554.5 16
  77.200 29703.0 10
  78.100 2316834.0 806
  79.100 103960.5 36
  92.100 2871290.0 999
  93.000 2217824.0 772
  96.100 103960.5 36
  102.800 54455.5 19
  110.200 193069.5 67
  118.000 14851.5 5
  119.200 371287.5 129
//