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
//