MassBank Record: MSBNK-Keio_Univ-KO003910
ACCESSION: MSBNK-Keio_Univ-KO003910
RECORD_TITLE: Pirimicarb; 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 P177
CH$NAME: Pirimicarb
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H18N4O2
CH$EXACT_MASS: 238.14298
CH$SMILES: CN(C)C(=O)Oc(n1)c(C)c(C)nc(N(C)C)1
CH$IUPAC: InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3
CH$LINK: CAS
23103-98-2
CH$LINK: KEGG
C11079
CH$LINK: NIKKAJI
J1.871F
CH$LINK: PUBCHEM
SID:13261
CH$LINK: INCHIKEY
YFGYUFNIOHWBOB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1032569
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 239
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-9400000000-470125be6447d12b01ec
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
55.000 14851.5 2
57.100 74257.5 10
63.100 44554.5 6
72.200 7574265.0 999
78.800 84158.5 11
80.900 19802.0 3
83.100 178218.0 24
85.000 564357.0 74
88.100 34653.5 5
93.000 44554.5 6
106.000 24752.5 3
106.900 84158.5 11
109.400 410891.5 54
114.500 14851.5 2
116.200 34653.5 5
117.100 39604.0 5
125.300 34653.5 5
129.800 54455.5 7
135.200 2613864.0 345
137.300 188119.0 25
138.100 113861.5 15
144.100 24752.5 3
145.100 24752.5 3
150.200 79208.0 10
152.400 351485.5 46
162.300 44554.5 6
167.100 34653.5 5
182.500 183168.5 24
//