MassBank Record: MSBNK-Keio_Univ-KO002620
ACCESSION: MSBNK-Keio_Univ-KO002620
RECORD_TITLE: Carbendazim; 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 C170
CH$NAME: Carbendazim
CH$NAME: Mecarzole
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H9N3O2
CH$EXACT_MASS: 191.06948
CH$SMILES: COC(=O)NC1=NC2=CC=CC=C2N1
CH$IUPAC: InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)
CH$LINK: CAS
10605-21-7
CH$LINK: KEGG
C10897
CH$LINK: NIKKAJI
J3.120H
CH$LINK: PUBCHEM
SID:13080
CH$LINK: INCHIKEY
TWFZGCMQGLPBSX-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4024729
AC$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$FOCUSED_ION: PRECURSOR_M/Z 192
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-1900000000-d6a2d8c38ca15c4d2b9b
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
43.000 64356.5 4
55.100 74257.5 5
57.100 74257.5 5
59.300 89109.0 6
60.700 9901.0 1
65.200 212871.5 14
69.200 29703.0 2
70.100 9901.0 1
72.800 54455.5 4
79.200 54455.5 4
80.300 49505.0 3
82.900 34653.5 2
90.300 559406.5 37
91.000 99010.0 6
92.100 1856437.5 122
93.100 39604.0 3
103.200 34653.5 2
104.400 39604.0 3
105.200 2485151.0 163
106.200 217822.0 14
107.000 113861.5 7
108.300 64356.5 4
117.300 1648516.5 108
118.200 99010.0 6
119.300 158416.0 10
131.800 6064362.5 398
133.200 579208.5 38
134.200 29703.0 2
135.200 193069.5 13
142.300 198020.0 13
157.200 34653.5 2
159.300 163366.5 11
160.100 15237639.0 999
//
system version 2.2.6-SNAPSHOT