MassBank Record: MSBNK-Keio_Univ-KO003770
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
//