MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007289
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007289
RECORD_TITLE: METHYL (3S)-3-HYDROXY-5-METHYLTHIOPENTANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: METHYL (3S)-3-HYDROXY-5-METHYLTHIOPENTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14O3S
CH$EXACT_MASS: 178.06637
CH$SMILES: N/A
CH$IUPAC: N/A
AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0h00-9400000000-eebc143ad0d14b34152b
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
28 45.9 459
29 10.3 103
31 5.7 57
32 1.43 14
33 4 40
35 2.3 23
41 12.2 122
42 1.11 11
43 44.9 449
44 6.5 65
45 13.7 137
46 0.21 2
47 17.3 173
48 26.5 265
49 3.8 38
53 0.44 4
54 3.2 32
55 3.4 34
56 6.3 63
57 0.4 4
58 6.1 61
59 15.6 156
60 2.7 27
61 99.99 999
62 6.9 69
63 4.4 44
69 3.8 38
70 2.86 29
71 37.8 378
72 4.6 46
73 2.5 25
74 2.96 30
75 25.6 256
76 11.2 112
81 6.9 69
82 0.31 3
85 21.4 214
86 7.1 71
87 52 520
88 0.53 5
89 3.4 34
97 2.5 25
98 45.9 459
99 0.65 7
100 34.7 347
101 31.6 316
102 8 80
103 2.14 21
104 7.6 76
105 11.6 116
112 2.5 25
113 3.67 37
114 5 50
115 2.5 25
117 3.8 38
128 0.9 9
129 24.5 245
130 45.9 459
131 5 50
147 0.63 6
160 21.4 214
161 5.3 53
178 68.4 684
179 0.42 4
180 2.9 29
//
system version 2.2.8-SNAPSHOT