ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000182
RECORD_TITLE: PARA AMINO ISOBUTYLBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: PARA AMINO ISOBUTYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₅NO₂
CH$EXACT_MASS: 193.11028
CH$SMILES: CC(C)COC(=O)c(c1)ccc(N)c1
CH$IUPAC: InChI=1S/C11H15NO2/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8H,7,12H2,1-2H3
CH$LINK: INCHIKEY PUYOAVGNCWPANW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9023170

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-00rl-7900000000-e064b6bd286dbcd0b665
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  15 1.54 15
  27 6.17 62
  29 4.74 47
  38 1.66 17
  39 13.17 132
  40 1.66 17
  41 9.85 99
  43 6.88 69
  45 37.84 378
  51 2.73 27
  63 5.46 55
  64 2.97 30
  65 27.99 280
  66 2.02 20
  77 2.73 27
  79 1.19 12
  89 4.51 45
  90 19.81 198
  91 26.69 267
  92 23.25 233
  93 2.25 23
  118 25.15 252
  119 7.71 77
  120 99.99 999
  121 10.32 103
  136 18.15 182
  137 70.23 702
  138 7 70
  193 10.44 104
  194 1.19 12
//