MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003473
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003473
RECORD_TITLE: CYCLOHEXYL 4-AMINOBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: CYCLOHEXYL 4-AMINOBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H17NO2
CH$EXACT_MASS: 219.12593
CH$SMILES: Nc(c2)ccc(c2)C(=O)OC(C1)CCCC1
CH$IUPAC: InChI=1S/C13H17NO2/c14-11-8-6-10(7-9-11)13(15)16-12-4-2-1-3-5-12/h6-9,12H,1-5,14H2
CH$LINK: INCHIKEY
OVZZSSYVRJEJQF-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-60
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0079-2910000000-050abb69ca9f01122546
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
39 0.55 6
41 5.78 58
42 0.4 4
43 0.94 9
53 0.33 3
54 2.39 24
55 10.21 102
56 0.59 6
65 6.63 66
66 1.29 13
67 4.7 47
68 0.28 3
71 0.84 8
77 0.38 4
79 0.25 3
80 0.34 3
81 3.42 34
82 2 20
83 1.37 14
84 0.11 1
86 8.14 81
90 0.27 3
91 0.59 6
92 21.58 216
93 6.14 61
94 1.92 19
95 0.17 2
98 0.11 1
99 3.49 35
100 0.24 2
105 6.81 68
106 1.01 10
107 0.16 2
108 2.16 22
109 1.12 11
110 0.67 7
111 0.25 3
117 0.12 1
118 0.6 6
119 3.43 34
120 89.77 898
121 26.32 263
122 2.85 29
123 0.24 2
130 0.13 1
132 0.3 3
133 0.18 2
134 0.47 5
137 99.99 999
138 32.83 328
139 4.13 41
140 0.27 3
150 0.41 4
162 0.11 1
163 0.18 2
174 2.3 23
175 0.34 3
176 0.54 5
190 0.11 1
202 0.12 1
217 0.12 1
219 37.17 372
220 9.76 98
221 0.79 8
//