MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007267
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007267
RECORD_TITLE: PENTYL (3S)-3-HYDROXY-5-METHOXYPENTANOATE; 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$NAME: PENTYL (3S)-3-HYDROXY-5-METHOXYPENTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H22O4
CH$EXACT_MASS: 218.15181
CH$SMILES: CCCCCOC(=O)CC([H])(O)CCOC
CH$IUPAC: InChI=1S/C11H22O4/c1-3-4-5-7-15-11(13)9-10(12)6-8-14-2/h10,12H,3-9H2,1-2H3/t10-/m0/s1
CH$LINK: INCHIKEY
HLHZXMVWWLTQHD-JTQLQIEISA-N
AC$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: splash10-000e-9200000000-bdd3c433c5caac7ffee6
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
39 7.9 79
40 2.4 24
41 20.6 206
42 3.89 39
43 72.5 725
44 5.5 55
45 83.2 832
53 0.18 2
54 2.8 28
55 18.3 183
56 8.1 81
57 0.53 5
58 8.7 87
59 5.9 59
60 9.7 97
61 0.49 5
68 3.9 39
69 6.5 65
70 31.3 313
71 3.74 37
72 5.1 51
81 2.2 22
82 2.4 24
84 3.51 35
85 12.4 124
86 4.5 45
87 15.3 153
89 99.99 999
90 4.5 45
97 22.9 229
98 31.3 313
99 1.6 16
100 12 120
101 12.2 122
102 3.6 36
112 0.24 2
113 26 260
114 3.6 36
115 5.1 51
116 3.28 33
117 7.9 79
129 12.8 128
130 8.9 89
131 2.82 28
132 2.4 24
159 13 130
200 1.6 16
219 1.6 16
//
system version 2.2.8-SNAPSHOT