MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010417
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010417
RECORD_TITLE: 6-CHLORO-N-ETHYL-N'-(1-METHYLETHYL)-1,3,5-TRIAZINE-2,4-DIAMINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA
CH$NAME: 6-CHLORO-N-ETHYL-N'-(1-METHYLETHYL)-1,3,5-TRIAZINE-2,4-DIAMINE
CH$NAME: ATRAZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H14ClN5
CH$EXACT_MASS: 215.09377
CH$SMILES: CCNc(n1)nc(NC(C)C)nc(Cl)1
CH$IUPAC: InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)
CH$LINK: INCHIKEY
MXWJVTOOROXGIU-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9020112
AC$INSTRUMENT: JEOL JMS-DX-303
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: splash10-0uxr-6690000000-583f3e9640ef44c789ce
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
39 1.55 16
41 5.41 54
42 7.02 70
43 18.39 184
53 1.64 16
55 3.56 36
57 1.49 15
58 37.89 379
59 1.27 13
62 3.42 34
64 1.18 12
67 1.24 12
68 17.19 172
69 12.04 120
70 1.32 13
71 12.42 124
79 1.66 17
81 1.04 10
83 2.5 25
87 2.58 26
90 1.04 10
91 3.1 31
92 20.6 206
93 7.88 79
94 5.69 57
95 2.06 21
96 7.62 76
97 1.74 17
99 1.23 12
100 3.21 32
101 1.39 14
104 7.72 77
105 5.3 53
106 2.42 24
107 2.2 22
110 3.65 37
121 1.09 11
122 10.48 105
123 3.07 31
129 1.88 19
130 4.36 44
131 2.18 22
132 12.24 122
133 1.28 13
134 3.75 38
136 2.05 21
137 1.83 18
138 9.5 95
145 6.96 70
147 2.53 25
152 1.68 17
157 1.85 19
158 11.09 111
159 2.17 22
160 3.6 36
164 1.63 16
172 14.36 144
173 29.49 295
174 6.7 67
175 9.53 95
180 1.82 18
184 1.18 12
186 2.37 24
187 3.89 39
198 2.13 21
200 99.99 999
201 10.19 102
202 31.05 311
203 3.09 31
214 6.21 62
215 62.68 627
216 8.32 83
217 19.41 194
218 2.89 29
//