ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007409
RECORD_TITLE: L-ALANINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: L-ALANINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₇NO₂
CH$EXACT_MASS: 89.04768
CH$SMILES: CC(N)C(O)=O
CH$IUPAC: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
CH$LINK: CAS 56-41-7
CH$LINK: INCHIKEY QNAYBMKLOCPYGJ-REOHCLBHSA-N
CH$LINK: COMPTOX DTXSID20873899

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-00kf-9000000000-b2f7507be509a85d821b
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  13 1.04 10
  14 3.91 39
  15 23.74 237
  16 1.6 16
  17 4.34 43
  18 99.45 995
  19 2.79 28
  25 1.12 11
  26 7.78 78
  27 23.41 234
  28 71.1 711
  29 8.14 81
  30 4.8 48
  38 1.98 20
  39 3.35 34
  40 10.42 104
  41 16.81 168
  42 52.58 526
  43 16.71 167
  44 99.99 999
  45 13.8 138
  46 7.89 79
  55 2.99 30
  74 9.15 92
//