ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011464
RECORD_TITLE: 4-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$NAME: 4-QUINOLYLMETHYL 2-METHYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₅NO₂
CH$EXACT_MASS: 277.11028
CH$SMILES: Cc(c3)c(ccc3)C(=O)OCc(c1)c(c2)c(ccc2)nc1
CH$IUPAC: InChI=1S/C18H15NO2/c1-13-6-2-3-7-15(13)18(20)21-12-14-10-11-19-17-9-5-4-8-16(14)17/h2-11H,12H2,1H3
CH$LINK: INCHIKEY WUEPOTIALDBBBY-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$SPLASH: splash10-016u-3930000000-2cd8a5ea356120927f41
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  39 6.68 67
  41 2.84 28
  50 1.69 17
  51 4.68 47
  52 1.46 15
  62 1.39 14
  63 5.25 53
  64 2.03 20
  65 18.03 180
  66 1.36 14
  75 3.07 31
  76 1.89 19
  77 8.57 86
  78 3.84 38
  79 5.02 50
  88 1.34 13
  89 11.28 113
  90 7.43 74
  91 47.11 471
  92 4.5 45
  101 4.57 46
  102 2.88 29
  103 1.63 16
  105 3.88 39
  113 1.3 13
  114 4.07 41
  115 34.19 342
  116 8.05 81
  118 5.28 53
  119 99.99 999
  120 10.78 108
  128 4.66 47
  129 3.62 36
  130 4.42 44
  135 27.37 274
  136 5.37 54
  140 4.15 42
  141 2.85 29
  142 43.47 435
  143 35.52 355
  144 4.39 44
  156 1.59 16
  158 1.74 17
  217 1.61 16
  218 1.29 13
  230 1.05 11
  231 1.37 14
  232 9.59 96
  233 1.84 18
  259 8.12 81
  260 1.35 14
  263 1.2 12
  276 2.34 23
  277 73.7 737
  278 15.68 157
  279 1.71 17
//