MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004091
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004091
RECORD_TITLE: METHYL 5-CHLORO-2-PYRAZINECARBOXYLATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: METHYL 5-CHLORO-2-PYRAZINECARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H5ClN2O2
CH$EXACT_MASS: 172.00396
CH$SMILES: COC(=O)c(c1)ncc(Cl)n1
CH$IUPAC: InChI=1S/C6H5ClN2O2/c1-11-6(10)4-2-9-5(7)3-8-4/h2-3H,1H3
CH$LINK: INCHIKEY
CVVMLRFXZPKILB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID90328104
AC$INSTRUMENT: HITACHI RMU-6E
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-03dl-4900000000-9921f0ec16735d7a7814
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
15 13 130
25 1.8 18
28 9.8 98
29 2 20
39 2.5 25
42 2.3 23
50 1.8 18
51 1.98 20
52 9.3 93
53 9.6 96
59 16 160
60 0.74 7
62 3.1 31
66 3.6 36
74 2 20
77 0.34 3
78 3.7 37
79 2.6 26
86 28.6 286
87 0.34 3
88 9.3 93
113 44.1 441
114 99.99 999
115 1.84 18
116 31.2 312
117 1.9 19
140 2 20
141 2.1 21
142 53.4 534
143 10 100
144 17.2 172
172 1.2 12
173 1.9 19
174 4.1 41
//
system version 2.2.8-SNAPSHOT