ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011377
RECORD_TITLE: N-(BENZYLOXYCARBONYL)-(S)-PROLINE; 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$NAME: N-(BENZYLOXYCARBONYL)-(S)-PROLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₅NO₄
CH$EXACT_MASS: 249.10011
CH$SMILES: OC(=O)C(C2)N(CC2)C(=O)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C13H15NO4/c15-12(16)11-7-4-8-14(11)13(17)18-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,15,16)/t11-/m0/s1
CH$LINK: INCHIKEY JXGVXCZADZNAMJ-NSHDSACASA-N
CH$LINK: COMPTOX DTXSID40150856

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$SPLASH: splash10-01ox-9410000000-dafb05c1e2403151bfdb
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  39 4.8 48
  41 6.1 61
  42 2.2 22
  43 2.2 22
  44 1.3 13
  45 1 10
  51 2.6 26
  63 2 20
  65 11.4 114
  68 2.4 24
  69 2.1 21
  70 11.9 119
  77 2.3 23
  79 1.5 15
  89 3 30
  90 2 20
  91 99.99 999
  92 10.7 107
  102 2.2 22
  107 2.1 21
  108 7 70
  114 38.8 388
  115 3.1 31
  160 24.3 243
  161 3.4 34
  204 12.6 126
  205 1.9 19
  249 5.2 52
  250 1.1 11
//