MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011465
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011465
RECORD_TITLE: 5-QUINOLYLMETHYL 2-METHYLBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA
CH$NAME: 5-QUINOLYLMETHYL 2-METHYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H15NO2
CH$EXACT_MASS: 277.11028
CH$SMILES: Cc(c3)c(ccc3)C(=O)OCc(c1)c(c2)c(ncc2)cc1
CH$IUPAC: InChI=1S/C18H15NO2/c1-13-6-2-3-8-15(13)18(20)21-12-14-7-4-10-17-16(14)9-5-11-19-17/h2-11H,12H2,1H3
CH$LINK: INCHIKEY
DEMBFYWIAASJQR-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-DX-300
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: splash10-00kf-2920000000-9afb99a35bd015fe2869
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
39 4.71 47
41 2.66 27
43 1.79 18
45 1.25 13
51 2.41 24
55 1.13 11
57 1.38 14
63 3.59 36
64 1.2 12
65 12.12 121
69 3.51 35
75 1.37 14
76 1.08 11
77 4.84 48
78 1.25 13
79 2.62 26
81 1.63 16
89 7.26 73
90 4.14 41
91 26.87 269
92 2.7 27
101 1.73 17
102 1.96 20
103 1.34 13
105 1.44 14
113 1.53 15
114 4.41 44
115 12.23 122
116 6.72 67
118 1.85 19
119 77.1 771
120 6.76 68
128 3.6 36
129 1.72 17
130 2.67 27
135 6.59 66
136 1.39 14
140 4.61 46
141 17.34 173
142 99.99 999
143 16.6 166
144 1.37 14
156 1.1 11
158 2.93 29
218 1.71 17
230 1.15 12
232 2.3 23
233 1.01 10
259 4.6 46
260 1 10
277 58.31 583
278 11.82 118
279 1.41 14
//