ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011467
RECORD_TITLE: 7-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$NAME: 7-QUINOLYLMETHYL 2-METHYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₅NO₂
CH$EXACT_MASS: 277.11028
CH$SMILES: Cc(c3)c(ccc3)C(=O)OCc(c1)cc(n2)c(ccc2)c1
CH$IUPAC: InChI=1S/C18H15NO2/c1-13-5-2-3-7-16(13)18(20)21-12-14-8-9-15-6-4-10-19-17(15)11-14/h2-11H,12H2,1H3
CH$LINK: INCHIKEY KAZSXOXSTGUMJZ-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$SPLASH: splash10-00kf-2920000000-b196df37f3d13c57270f
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  39 5.13 51
  41 2.32 23
  43 1.69 17
  51 3.11 31
  57 1.3 13
  63 4.47 45
  64 1.32 13
  65 14.14 141
  69 3.13 31
  75 1.39 14
  76 0.99 10
  77 7.12 71
  78 1.01 10
  79 3.44 34
  81 1.72 17
  88 1.17 12
  89 7.61 76
  90 5.18 52
  91 33.69 337
  92 3.28 33
  101 2.2 22
  102 2.12 21
  103 1.38 14
  105 2.31 23
  113 1.76 18
  114 4.57 46
  115 11.28 113
  116 7.14 71
  118 2.13 21
  119 99.99 999
  120 10.43 104
  128 4.3 43
  129 2.21 22
  130 5.86 59
  135 7.48 75
  136 1.44 14
  140 4.13 41
  141 15.96 160
  142 95.44 954
  143 16.69 167
  144 1.33 13
  156 3.6 36
  157 1.11 11
  158 29.31 293
  159 3.28 33
  218 1.68 17
  232 11.52 115
  233 3.29 33
  259 1.08 11
  276 1.95 20
  277 60.51 605
  278 12.21 122
  279 1.16 12
//