MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011466
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011466
RECORD_TITLE: 6-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$NAME: 6-QUINOLYLMETHYL 2-METHYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H15NO2
CH$EXACT_MASS: 277.11028
CH$SMILES: Cc(c3)c(ccc3)C(=O)OCc(c1)cc(c2)c(ncc2)c1
CH$IUPAC: InChI=1S/C18H15NO2/c1-13-5-2-3-7-16(13)18(20)21-12-14-8-9-17-15(11-14)6-4-10-19-17/h2-11H,12H2,1H3
CH$LINK: INCHIKEY
OXTADCIUYHDWPS-UHFFFAOYSA-N
AC$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-2920000000-276176028b47949fa97d
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
39 4.3 43
41 2.33 23
43 1.68 17
50 1.33 13
51 3.36 34
55 1.34 13
57 1.23 12
60 1.07 11
63 3.57 36
64 1.17 12
65 12.04 120
69 2.69 27
75 1.23 12
76 1.11 11
77 5.28 53
78 4.46 45
79 2.61 26
89 6.31 63
90 4.31 43
91 26.34 263
92 2.83 28
101 1.8 18
102 1.58 16
103 1.14 11
105 1.13 11
113 1.32 13
114 3.93 39
115 8.82 88
116 5.69 57
118 1.62 16
119 94.1 941
120 9.15 92
128 3.56 36
129 1.3 13
130 3.44 34
135 6.27 63
140 3.81 38
141 14.64 146
142 99.99 999
143 14.26 143
144 1.45 15
156 1.47 15
158 2.19 22
218 1.12 11
232 2.47 25
259 1.4 14
277 48.32 483
278 9.96 100
279 1.18 12
//