ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011482
RECORD_TITLE: BENZYL 5-ETHOXYMETHYL-4-ETHYL-3-METHYL-2-CARBOXYLATE; 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$NAME: BENZYL 5-ETHOXYMETHYL-4-ETHYL-3-METHYL-2-CARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₃NO₃
CH$EXACT_MASS: 301.16779
CH$SMILES: CCC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)COCC
CH$IUPAC: InChI=1S/C18H23NO3/c1-4-15-13(3)17(19-16(15)12-21-5-2)18(20)22-11-14-9-7-6-8-10-14/h6-10,19H,4-5,11-12H2,1-3H3
CH$LINK: INCHIKEY NAHUUKINEAKKQM-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$SPLASH: splash10-0f6x-9422000000-78c416f234986cfb0528
PK$NUM_PEAK: 83
PK$PEAK: m/z int. rel.int.
  36 2.6 26
  39 6.27 63
  40 3.06 31
  41 8.04 80
  42 2.8 28
  43 6.6 66
  44 6.11 61
  45 1.34 13
  51 3.05 31
  52 1.7 17
  53 3.52 35
  54 1.36 14
  55 3.28 33
  56 3.17 32
  57 6.42 64
  63 1.66 17
  65 13.78 138
  66 2.49 25
  67 2.43 24
  69 2.03 20
  71 1.59 16
  77 8.88 89
  78 2.49 25
  79 6.39 64
  80 1.6 16
  81 1.59 16
  82 1.17 12
  83 3.23 32
  85 1.88 19
  89 2.18 22
  90 2.05 21
  91 99.99 999
  92 13.82 138
  93 3.76 38
  94 3.44 34
  95 1.43 14
  97 1.09 11
  104 2.5 25
  105 2.62 26
  106 3.22 32
  107 2.47 25
  108 1.64 16
  118 1.46 15
  119 1.63 16
  120 5.84 58
  121 8.98 90
  122 8.56 86
  123 1.3 13
  134 1.48 15
  136 1.33 13
  138 1.66 17
  146 2.11 21
  147 1.39 14
  148 6.62 66
  149 4.63 46
  150 1.18 12
  151 1.12 11
  162 2.29 23
  164 9.45 95
  165 1.51 15
  166 6.58 66
  167 12.92 129
  168 1.48 15
  180 2.72 27
  182 1.38 14
  194 5.17 52
  195 1 10
  210 11.04 110
  211 1.58 16
  212 2.23 22
  238 1.19 12
  240 1.03 10
  242 3.29 33
  254 2.22 22
  255 3.31 33
  256 36.69 367
  257 6.59 66
  271 3.68 37
  272 5.03 50
  300 1.23 12
  301 60.13 601
  302 12.38 124
  303 1.63 16
//