ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000181
RECORD_TITLE: ANTHRANILIC ACID BUTYL ESTER; 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$NAME: ANTHRANILIC ACID BUTYL ESTER
CH$NAME: ORTHO AMINO BUTYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₅NO₂
CH$EXACT_MASS: 193.11028
CH$SMILES: CCCCOC(=O)c(c1)c(N)ccc1
CH$IUPAC: InChI=1S/C11H15NO2/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7H,2-3,8,12H2,1H3
CH$LINK: COMPTOX DTXSID5024683
CH$LINK: INCHIKEY HUIYGGQINIVDNW-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:24433

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$SPLASH: splash10-014l-6900000000-ceecfd3b19c6914b9e26
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  27 5.86 59
  39 12.36 124
  41 11.13 111
  50 1.55 16
  51 2.19 22
  52 5.79 58
  63 3.8 38
  64 5.21 52
  65 26.51 265
  66 3.35 34
  79 2.57 26
  90 1.09 11
  91 4.7 47
  92 35.33 353
  93 5.92 59
  119 99.99 999
  120 29.73 297
  121 2.77 28
  137 23.94 239
  138 2.19 22
  193 18.79 188
  194 1.99 20
//