MassBank Record: MSBNK-Keio_Univ-KO003909
ACCESSION: MSBNK-Keio_Univ-KO003909
RECORD_TITLE: Pirimicarb; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 239
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-9700000000-5696d9ea325a28ebbcff
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
59.300 29703.0 4
62.400 74257.5 9
70.600 59406.0 7
72.000 8000008.0 999
76.900 24752.5 3
79.300 29703.0 4
82.900 39604.0 5
84.100 24752.5 3
85.400 371287.5 46
88.100 79208.0 10
95.300 39604.0 5
104.900 49505.0 6
108.900 138614.0 17
111.600 24752.5 3
115.100 19802.0 2
119.200 44554.5 6
121.100 34653.5 4
123.200 39604.0 5
126.000 34653.5 4
130.100 49505.0 6
135.200 2198022.0 274
137.200 316832.0 40
138.500 39604.0 5
145.000 59406.0 7
150.200 148515.0 19
152.200 1569308.5 196
157.400 19802.0 2
159.200 29703.0 4
160.000 74257.5 9
162.000 64356.5 8
163.700 9901.0 1
167.000 24752.5 3
172.100 39604.0 5
177.000 44554.5 6
182.200 1891091.0 236
195.600 89109.0 11
//