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
//