MassBank Record: MSBNK-Keio_Univ-KO003772
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
//