MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007282
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007282
RECORD_TITLE: (2S,3S)-4-BENZYLOXY-3-METHYLBUTAN-1,2-DIOL; 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$NAME: (2S,3S)-4-BENZYLOXY-3-METHYLBUTAN-1,2-DIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H18O3
CH$EXACT_MASS: 210.12559
CH$SMILES: OCC([H])(O)C([H])(C)COCc(c1)cccc1
CH$IUPAC: InChI=1S/C12H18O3/c1-10(12(14)7-13)8-15-9-11-5-3-2-4-6-11/h2-6,10,12-14H,7-9H2,1H3/t10-,12+/m0/s1
CH$LINK: INCHIKEY
BSAZSOBKWUSCEH-CMPLNLGQSA-N
AC$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 14 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-052f-9800000000-8104c60aabb53e7353a1
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
43 5.7 57
45 11.4 114
54 2.6 26
56 0.46 5
57 2.6 26
58 6.8 68
59 6.3 63
61 0.24 2
68 7.9 79
69 6.8 68
70 3.9 39
71 1.07 11
72 2.2 22
79 9.2 92
84 13.4 134
85 0.77 8
86 3.5 35
87 22.4 224
88 2.2 22
91 99.99 999
92 13.8 138
93 2.4 24
101 5.5 55
102 0.63 6
105 38.8 388
106 9.4 94
107 56.9 569
108 4.74 47
109 5 50
118 7.9 79
119 3.7 37
120 2.16 22
121 5.7 57
122 2.6 26
131 6.1 61
132 0.31 3
133 2.6 26
143 3.1 31
147 3.1 31
148 0.26 3
150 9.2 92
159 8.8 88
161 8.1 81
174 0.92 9
175 9 90
176 2.2 22
179 12 120
191 0.31 3
192 3.9 39
210 3.7 37
211 2.8 28
//
system version 2.2.6-SNAPSHOT