MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011467
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011467
RECORD_TITLE: 7-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$NAME: 7-QUINOLYLMETHYL 2-METHYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H15NO2
CH$EXACT_MASS: 277.11028
CH$SMILES: Cc(c3)c(ccc3)C(=O)OCc(c1)cc(n2)c(ccc2)c1
CH$IUPAC: InChI=1S/C18H15NO2/c1-13-5-2-3-7-16(13)18(20)21-12-14-8-9-15-6-4-10-19-17(15)11-14/h2-11H,12H2,1H3
CH$LINK: INCHIKEY
KAZSXOXSTGUMJZ-UHFFFAOYSA-N
AC$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-b196df37f3d13c57270f
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
39 5.13 51
41 2.32 23
43 1.69 17
51 3.11 31
57 1.3 13
63 4.47 45
64 1.32 13
65 14.14 141
69 3.13 31
75 1.39 14
76 0.99 10
77 7.12 71
78 1.01 10
79 3.44 34
81 1.72 17
88 1.17 12
89 7.61 76
90 5.18 52
91 33.69 337
92 3.28 33
101 2.2 22
102 2.12 21
103 1.38 14
105 2.31 23
113 1.76 18
114 4.57 46
115 11.28 113
116 7.14 71
118 2.13 21
119 99.99 999
120 10.43 104
128 4.3 43
129 2.21 22
130 5.86 59
135 7.48 75
136 1.44 14
140 4.13 41
141 15.96 160
142 95.44 954
143 16.69 167
144 1.33 13
156 3.6 36
157 1.11 11
158 29.31 293
159 3.28 33
218 1.68 17
232 11.52 115
233 3.29 33
259 1.08 11
276 1.95 20
277 60.51 605
278 12.21 122
279 1.16 12
//