MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007628
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
//