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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000180

PARA AMINO ISOPROPYLBENZOATE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000180
RECORD_TITLE: PARA AMINO ISOPROPYLBENZOATE; 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$NAME: PARA AMINO ISOPROPYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H13NO2
CH$EXACT_MASS: 179.09463
CH$SMILES: CC(C)OC(=O)c(c1)ccc(N)c1
CH$IUPAC: InChI=1S/C10H13NO2/c1-7(2)13-10(12)8-3-5-9(11)6-4-8/h3-7H,11H2,1-2H3
CH$LINK: INCHIKEY JWCPZKNBPMSYND-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90876034

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$SPLASH: splash10-00dr-5900000000-107567990c70812b83f2
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  27 5.58 56
  29 1.72 17
  38 1.23 12
  39 11.29 113
  40 1.78 18
  41 8.59 86
  42 1.35 14
  43 5.71 57
  45 12.27 123
  63 3.07 31
  64 3.13 31
  65 24.54 245
  66 3.01 30
  90 1.23 12
  91 3.87 39
  92 21.6 216
  93 3.68 37
  119 1.29 13
  120 99.99 999
  121 13.5 135
  136 1.23 12
  137 55.09 551
  138 4.48 45
  179 23.19 232
  180 2.39 24
//

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