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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007628

N-ACETYLSERINE METHYL ESTER; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007628
RECORD_TITLE: N-ACETYLSERINE METHYL ESTER; 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$NAME: N-ACETYLSERINE METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H11NO4
CH$EXACT_MASS: 161.06881
CH$SMILES: OCC(NC(C)=O)C(=O)OC
CH$IUPAC: InChI=1S/C6H11NO4/c1-4(9)7-5(3-8)6(10)11-2/h5,8H,3H2,1-2H3,(H,7,9)
CH$LINK: INCHIKEY ONUNDAQVOOLWTH-UHFFFAOYSA-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 15 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0f6x-3900000000-7222e874c05a54a47ece
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  28 1.09 11
  30 1.85 19
  31 1.68 17
  32 2.44 24
  41 6.23 62
  42 19.02 190
  43 24.16 242
  44 1.85 19
  55 1.01 10
  56 1.09 11
  58 2.86 29
  59 5.22 52
  60 1.01 10
  71 20.71 207
  80 3.03 30
  83 3.96 40
  84 5.3 53
  86 2.27 23
  100 4.21 42
  101 99.99 999
  102 7.24 72
  105 2.19 22
  106 3.62 36
  109 5.64 56
  111 33.42 334
  112 5.64 56
  113 1.01 10
  114 3.7 37
  115 1.77 18
  143 65.91 659
  144 5.89 59
  145 1.6 16
//

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