ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011378
RECORD_TITLE: N-(BENZYLOXYCARBONYL)-(S)-PROLINE METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, INSTITUTE FOR CHEMICAL REACTION SCIENCE TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: N-(BENZYLOXYCARBONYL)-(S)-PROLINE METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₇NO₄
CH$EXACT_MASS: 263.11576
CH$SMILES: COC(=O)C(C2)N(CC2)C(=O)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C14H17NO4/c1-18-13(16)12-8-5-9-15(12)14(17)19-10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-/m0/s1
CH$LINK: INCHIKEY BLQYEDXWEDWCNJ-LBPRGKRZSA-N
CH$LINK: COMPTOX DTXSID70350807

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$SPLASH: splash10-0006-9220000000-f4fd10656d1b0b98c1f4
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  39 3.6 36
  41 4.8 48
  42 3 30
  51 1.9 19
  59 1.8 18
  63 1.6 16
  65 9.4 94
  68 2 20
  69 1.9 19
  70 2.8 28
  77 1.6 16
  89 2.4 24
  90 1.7 17
  91 99.99 999
  92 10.7 107
  102 2.8 28
  128 4.8 48
  160 30.7 307
  161 4.5 45
  204 27.6 276
  205 4.4 44
  263 5.5 55
  264 1.1 11
//