MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007627
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007627
RECORD_TITLE: N-ACETYLMETHIONINE 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$NAME: N-ACETYLMETHIONINE METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H15NO3S
CH$EXACT_MASS: 205.07726
CH$SMILES: COC(=O)C([H])(CCSC)NC(C)=O
CH$IUPAC: InChI=1S/C8H15NO3S/c1-6(10)9-7(4-5-13-3)8(11)12-2/h7H,4-5H2,1-3H3,(H,9,10)/t7-/m1/s1
CH$LINK: INCHIKEY
YVMKSJIMTATAAS-SSDOTTSWSA-N
AC$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: splash10-001i-5900000000-87651537e184efa4f345
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
28 1.33 13
43 3.65 37
47 1.16 12
48 1.91 19
56 8.05 81
57 2.74 27
60 1.83 18
61 5.56 56
71 1.74 17
74 1.91 19
75 4.81 48
83 1.24 12
88 6.39 64
89 19.59 196
98 5.39 54
99 49.38 494
100 2.9 29
102 10.95 110
104 11.45 115
112 10.62 106
113 1 10
114 4.91 49
115 1.58 16
116 4.15 42
125 2.74 27
126 1.83 18
131 99.99 999
132 5.98 60
144 18.01 180
145 1.41 14
146 5.23 52
158 5.48 55
162 5.23 52
163 1.16 12
173 1.66 17
205 7.3 73
206 1.58 16
//