ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011468
RECORD_TITLE: 8-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$NAME: 8-QUINOLYLMETHYL 2-METHYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₅NO₂
CH$EXACT_MASS: 277.11028
CH$SMILES: Cc(c3)c(ccc3)C(=O)OCc(c1)c(n2)c(ccc2)cc1
CH$IUPAC: InChI=1S/C18H15NO2/c1-13-6-2-3-10-16(13)18(20)21-12-15-8-4-7-14-9-5-11-19-17(14)15/h2-11H,12H2,1H3
CH$LINK: INCHIKEY GJVZYYVLYSMMHW-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$SPLASH: splash10-0a4i-2900000000-e416173071241b3724aa
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  39 3.09 31
  41 1.21 12
  51 1.64 16
  63 2.77 28
  65 9.96 100
  75 1.05 11
  76 1.02 10
  77 4.04 40
  89 4.5 45
  90 3.99 40
  91 20.22 202
  92 1.84 18
  101 1.12 11
  102 2.35 24
  103 1.68 17
  114 2.19 22
  115 5.5 55
  116 3.53 35
  118 4.3 43
  119 12.99 130
  120 1.07 11
  128 6.56 66
  129 5.11 51
  130 3.81 38
  135 1.7 17
  140 2.14 21
  141 6.74 67
  142 35.1 351
  143 6.21 62
  156 8.91 89
  157 1.41 14
  158 99.99 999
  159 15.56 156
  160 1.04 10
  232 2.62 26
  277 11.61 116
  278 2.57 26
//