ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007926
RECORD_TITLE: 3-(BENZYLAMINO)PENTADECANOIC 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$NAME: 3-(BENZYLAMINO)PENTADECANOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H37NO2
CH$EXACT_MASS: 347.28243
CH$SMILES: CCCCCCCCCCCCC(CC(O)=O)NCc(c1)cccc1
CH$IUPAC: InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-14-17-21(18-22(24)25)23-19-20-15-12-11-13-16-20/h11-13,15-16,21,23H,2-10,14,17-19H2,1H3,(H,24,25)
CH$LINK: INCHIKEY URBZNYXWHOGCJC-UHFFFAOYSA-N
AC$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: splash10-003u-4900000000-1fcebcad55d9fd43229c
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  55 9.04 90
  57 8 80
  79 8.14 81
  91 99.99 999
  92 8.71 87
  106 29.61 296
  107 16.09 161
  132 23.01 230
  133 93.64 936
  134 10.2 102
  146 15.83 158
  178 72.43 724
  179 8.14 81
  274 11.07 111
//
