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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000091

N-ACETYL-SERINE METHYLESTER; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000091
RECORD_TITLE: N-ACETYL-SERINE METHYLESTER; 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$NAME: N-ACETYL-SERINE METHYLESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H11NO4
CH$EXACT_MASS: 161.06881
CH$SMILES: COC(=O)C([H])(CO)NC(C)=O
CH$IUPAC: InChI=1S/C6H11NO4/c1-4(9)7-5(3-8)6(10)11-2/h5,8H,3H2,1-2H3,(H,7,9)/t5-/m1/s1
CH$LINK: INCHIKEY ONUNDAQVOOLWTH-RXMQYKEDSA-N

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$SPLASH: splash10-0006-9200000000-5bcf38399f17afb03bdb
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  27 4.74 47
  28 16.01 160
  29 4.88 49
  31 3.02 30
  32 2.13 21
  33 3.85 39
  38 1.65 17
  39 5.43 54
  40 7.22 72
  41 31.27 313
  42 61.86 619
  43 99.99 999
  44 5.02 50
  45 1.58 16
  52 2.54 25
  53 2.06 21
  54 2.47 25
  55 1.58 16
  56 2.27 23
  58 1.31 13
  59 3.16 32
  63 1.92 19
  65 2.47 25
  68 2.13 21
  71 10.65 107
  74 1.1 11
  80 2.54 25
  83 1.58 16
  84 4.81 48
  100 1.44 14
  101 43.64 436
  102 3.57 36
  105 1.37 14
  109 1.37 14
  111 12.58 126
  112 3.99 40
  143 19.52 195
  144 1.58 16
//

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