MassBank Record: MSBNK-Keio_Univ-KO003908
ACCESSION: MSBNK-Keio_Univ-KO003908
RECORD_TITLE: Pirimicarb; LC-ESI-QQ; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 239
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0fer-4950000000-e0b3429651b4ba53949d
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
57.000 49505.0 9
62.700 94059.5 16
72.100 4019806.0 704
76.800 44554.5 8
80.800 44554.5 8
82.000 14851.5 3
85.000 24752.5 4
88.200 103960.5 18
89.100 29703.0 5
90.300 14851.5 3
95.200 19802.0 3
97.200 9901.0 2
98.700 29703.0 5
104.800 54455.5 10
119.300 39604.0 7
120.100 29703.0 5
120.800 69307.0 12
125.200 29703.0 5
134.800 113861.5 20
135.300 257426.0 45
138.900 19802.0 3
141.100 24752.5 4
148.500 14851.5 3
152.200 4024756.5 705
153.000 44554.5 8
157.100 311881.5 55
158.200 19802.0 3
160.100 79208.0 14
162.000 128713.0 23
162.500 9901.0 2
164.200 49505.0 9
166.400 34653.5 6
176.000 34653.5 6
177.400 118812.0 21
179.300 79208.0 14
182.300 3633667.0 637
190.400 168317.0 29
194.000 39604.0 7
195.300 371287.5 65
204.200 336634.0 59
221.300 103960.5 18
222.400 133663.5 23
239.400 5702976.0 999
257.500 34653.5 6
//