ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005747
RECORD_TITLE: L-LEUCINE; 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$NAME: L-LEUCINE
CH$NAME: (S)-(+)-LEUCINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₃NO₂
CH$EXACT_MASS: 131.09463
CH$SMILES: CC(C)CC([H])(N)C(O)=O
CH$IUPAC: InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
CH$LINK: CAS 61-90-5
CH$LINK: INCHIKEY ROHFNLRQFUQHCH-YFKPBYRVSA-N
CH$LINK: COMPTOX DTXSID9023203

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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0019-9000000000-6e468213b3429cf627bc
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  15 2.6 26
  16 2 20
  17 2.3 23
  25 2.6 26
  30 65.5 655
  38 3.2 32
  43 3.3 33
  44 31.6 316
  49 2 20
  55 3.2 32
  57 3.2 32
  74 20.2 202
  75 4.6 46
  80 2 20
  82 2.6 26
  86 99.99 999
  87 5.4 54
  89 2.3 23
  101 2.4 24
  102 2.7 27
  110 2 20
  111 2 20
  113 3.2 32
  114 3.2 32
  129 2.9 29
  131 3 30
  132 2.1 21
//