ACCESSION: MSBNK-Keio_Univ-KO003771
RECORD_TITLE: Pralidoxime; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-0006-9100000000-5b6d1f4a0b4b4f3b44d8
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  50.800 69307.0 5
  65.100 1405942.0 94
  66.000 3153468.5 211
  67.100 1336635.0 89
  78.100 2594062.0 174
  79.100 242574.5 16
  79.800 39604.0 3
  92.100 6504957.0 436
  93.200 14920807.0 999
  94.000 54455.5 4
  95.800 247525.0 17
  103.000 173267.5 12
  105.100 79208.0 5
  106.100 29703.0 2
  108.400 123762.5 8
  110.100 861387.0 58
  118.400 89109.0 6
  119.100 3831687.0 257
  120.000 74257.5 5
  121.300 29703.0 2
  137.400 24752.5 2
//