ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007924
RECORD_TITLE: 3-(BENZYLAMINO)CAPROIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 3-(BENZYLAMINO)CAPROIC ACID
CH$NAME: 3-(BENZYLAMINO)HEXANOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H19NO2
CH$EXACT_MASS: 221.14158
CH$SMILES: CCCC(CC(O)=O)NCc(c1)cccc1
CH$IUPAC: InChI=1S/C13H19NO2/c1-2-6-12(9-13(15)16)14-10-11-7-4-3-5-8-11/h3-5,7-8,12,14H,2,6,9-10H2,1H3,(H,15,16)
CH$LINK: INCHIKEY JQKKEYCMOYWIOU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60526953
AC$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: splash10-0006-9400000000-cd9396e4536c16e849b0
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  65 12.51 125
  91 99.99 999
  92 9.59 96
  106 11.1 111
  132 7.53 75
  133 19.84 198
  162 7.01 70
  178 21.55 216
//
