MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000086
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000086
RECORD_TITLE: N-ACETYL-GLYCINE 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$NAME: N-ACETYL-GLYCINE METHYLESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H9NO3
CH$EXACT_MASS: 131.05824
CH$SMILES: COC(=O)CNC(C)=O
CH$IUPAC: InChI=1S/C5H9NO3/c1-4(7)6-3-5(8)9-2/h3H2,1-2H3,(H,6,7)
CH$LINK: INCHIKEY
RFNODQARGNZURK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID50333754
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$SPLASH: splash10-001i-9000000000-8eb79a1b4590896d6e2c
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
14 2.7 27
15 23.9 239
27 1.2 12
28 1.33 13
29 5.1 51
30 99.99 999
31 2 20
33 0.19 2
42 7.2 72
43 49.3 493
44 2.8 28
45 0.17 2
55 1.1 11
56 4.5 45
57 1.1 11
59 0.22 2
72 32.3 323
73 1.4 14
88 3 30
89 0.55 6
99 11.9 119
100 3.1 31
131 3.7 37
//