MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003815
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003815
RECORD_TITLE: GLYCEROL-1-(O-TOLYL) ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: GLYCEROL-1-(O-TOLYL) ETHER
CH$NAME: MEPHENESIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14O3
CH$EXACT_MASS: 182.09429
CH$SMILES: OCC(O)COc(c1)c(C)ccc1
CH$IUPAC: InChI=1S/C10H14O3/c1-8-4-2-3-5-10(8)13-7-9(12)6-11/h2-5,9,11-12H,6-7H2,1H3
CH$LINK: COMPTOX
DTXSID4023254
CH$LINK: INCHIKEY
JWDYCNIAQWPBHD-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:4059
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-5900000000-3ce39ed63d61e07d52b5
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
51 7.4 74
52 3.9 39
53 3.4 34
54 0.04 0
55 2.4 24
56 1.4 14
57 7.9 79
61 0.24 2
62 1.4 14
63 3.9 39
65 10.9 109
77 1.24 12
78 5.9 59
79 9.4 94
80 4.9 49
89 0.34 3
90 7.4 74
91 22.9 229
92 3.9 39
93 0.19 2
105 3.9 39
106 1.4 14
107 23.9 239
108 99.99 999
109 12.9 129
121 5.9 59
122 2.9 29
133 0.49 5
151 1.4 14
182 18.9 189
183 2.4 24
//