ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010833
RECORD_TITLE: (1R)-2-(2-TETRAHYDROPYRANYLOXY)-1-PROPIONYLAMINOETHYLBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: (1R)-2-(2-TETRAHYDROPYRANYLOXY)-1-PROPIONYLAMINOETHYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₃NO₃
CH$EXACT_MASS: 277.16779
CH$SMILES: CCC(=O)NC([H])(COC(C2)OCCC2)c(c1)cccc1
CH$IUPAC: InChI=1S/C16H23NO3/c1-2-15(18)17-14(13-8-4-3-5-9-13)12-20-16-10-6-7-11-19-16/h3-5,8-9,14,16H,2,6-7,10-12H2,1H3,(H,17,18)/t14-,16?/m0/s1
CH$LINK: INCHIKEY FVMZMHCLDKHCNA-LBAUFKAWSA-N

AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$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$SPLASH: splash10-06rf-5900000000-bf46a00a577b9ec52968
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  29 18.7 187
  41 14.1 141
  43 8.7 87
  55 7.8 78
  57 28.9 289
  67 9.1 91
  74 9.1 91
  77 7.2 72
  78 7.2 72
  79 5.2 52
  85 88.2 882
  86 5.2 52
  91 8.4 84
  103 5.7 57
  104 12.3 123
  106 72.9 729
  107 8.7 87
  119 8 80
  120 25.1 251
  162 13.5 135
  163 78.3 783
  164 9.3 93
  175 7.6 76
  176 18 180
  194 99.99 999
  195 13.8 138
  278 17.5 175
//