ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009514
RECORD_TITLE: L-PHENYLALANINE METHYL ESTER; 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$NAME: L-PHENYLALANINE METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₃NO₂
CH$EXACT_MASS: 179.09463
CH$SMILES: COC(=O)C(N)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C10H13NO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/t9-/m0/s1
CH$LINK: CAS 2577-90-4
CH$LINK: INCHIKEY VSDUZFOSJDMAFZ-VIFPVBQESA-N

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$SPLASH: splash10-0079-9300000000-de217e7b5ba4a358f934
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  15 9.08 91
  18 2.34 23
  27 2.59 26
  28 22.16 222
  29 6.88 69
  30 2.54 25
  31 1.13 11
  33 23.52 235
  38 1.51 15
  39 10.13 101
  40 1.23 12
  41 3.86 39
  42 8.47 85
  43 4.43 44
  50 4.12 41
  51 10.08 101
  52 2.54 25
  53 1.44 14
  59 3 30
  60 13.13 131
  62 2.24 22
  63 6.98 70
  64 2 20
  65 16.82 168
  66 1.67 17
  74 1.32 13
  75 1.17 12
  76 1.26 13
  77 13.2 132
  78 3.8 38
  80 1.04 10
  88 99.99 999
  89 9.13 91
  90 3.77 38
  91 42.85 429
  92 9.63 96
  93 4.15 42
  102 2.92 29
  103 15.91 159
  104 3.71 37
  117 2.86 29
  118 6.63 66
  119 6.09 61
  120 99.36 994
  121 9.27 93
  179 1.91 19
  180 3.89 39
//