ACCESSION: MSBNK-Keio_Univ-KO003770
RECORD_TITLE: Pralidoxime; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-00kf-9600000000-e526d65f27b45380a401
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  38.800 24752.5 1
  42.000 19802.0 1
  56.900 24752.5 1
  60.100 34653.5 1
  65.100 207921.0 8
  66.200 584159.0 22
  66.800 282178.5 11
  78.000 871288.0 33
  78.400 173267.5 7
  79.800 69307.0 3
  91.000 34653.5 1
  92.100 4257430.0 160
  93.100 26623789.0 999
  94.100 188119.0 7
  96.000 128713.0 5
  102.800 123762.5 5
  106.700 14851.5 1
  108.200 524753.0 20
  108.500 39604.0 1
  110.200 900991.0 34
  118.400 74257.5 3
  119.100 21475269.0 806
  119.900 1306932.0 49
  121.200 34653.5 1
  137.000 1381189.5 52
//