ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010310
RECORD_TITLE: DL-ALANINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: DL-ALANINE
CH$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)
CH$LINK: INCHIKEY QNAYBMKLOCPYGJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6031255

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-0006-9000000000-a06c1fe0735b0a443464
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  14 1 10
  15 5.83 58
  18 25.52 255
  26 1.58 16
  27 5.41 54
  28 14.89 149
  29 2.19 22
  30 1.11 11
  40 2.04 20
  41 3.39 34
  42 12.09 121
  43 3.61 36
  44 99.99 999
  45 4.85 49
  46 2.06 21
  74 1.35 14
  90 4.73 47
//