ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009492
RECORD_TITLE: L-PROLINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: L-PROLINE
CH$NAME: (S)-(-)-PROLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₉NO₂
CH$EXACT_MASS: 115.06333
CH$SMILES: OC(=O)C([H])(C1)NCC1
CH$IUPAC: InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
CH$LINK: CAS 147-85-3
CH$LINK: INCHIKEY ONIBWKKTOPOVIA-BYPYZUCNSA-N
CH$LINK: COMPTOX DTXSID5044021

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-00fu-9000000000-716c3d01b301162863b6
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  14 1.2 12
  15 4.96 50
  17 0.96 10
  18 3.32 33
  26 3.22 32
  27 11.87 119
  28 43.71 437
  29 4.18 42
  30 5.52 55
  37 1.27 13
  38 2.94 29
  39 15.08 151
  40 4.6 46
  41 31.9 319
  42 10.06 101
  43 26.51 265
  44 2.57 26
  45 18.4 184
  53 1.23 12
  54 1.1 11
  67 1.34 13
  68 13.78 138
  69 5.22 52
  70 99.99 999
  71 5.08 51
  115 0.96 10
  116 0.9 9
//