MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005520
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005520
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 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0f6x-9700000000-da4fbf6c55401c347002
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
27 1.12 11
28 8.84 88
29 1.97 20
30 2.23 22
31 3.78 38
32 2.83 28
33 4.38 44
40 2.06 21
41 18.28 183
42 68.96 690
43 77.18 772
54 1.54 15
55 2.75 28
56 3.6 36
57 1.8 18
58 5.58 56
59 6.52 65
60 1.72 17
65 1.63 16
68 1.37 14
71 26.86 269
72 1.72 17
80 5.49 55
83 5.58 56
84 9.52 95
85 1.2 12
86 2.57 26
87 1.03 10
100 3.78 38
101 99.99 999
102 10.3 103
103 1.29 13
105 3.78 38
106 3.6 36
109 5.05 51
110 1.03 10
111 32.18 322
112 8.84 88
113 1.03 10
114 1.29 13
115 4.29 43
116 3.35 34
143 48.93 489
144 6.01 60
145 1.72 17
//