MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007450
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007450
RECORD_TITLE: 3-METHOXY-3-METHYL-1-BUTANOL; CI-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$NAME: 3-METHOXY-3-METHYL-1-BUTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H14O2
CH$EXACT_MASS: 118.09938
CH$SMILES: OCCC(C)(C)OC
CH$IUPAC: InChI=1S/C6H14O2/c1-6(2,8-3)4-5-7/h7H,4-5H2,1-3H3
CH$LINK: CAS
56539-66-3
CH$LINK: INCHIKEY
MFKRHJVUCZRDTF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8044389
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-014i-9800000000-29c2e26e53b162798a8f
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
68 0.8 8
69 67.15 672
70 5.26 53
72 9.83 98
73 21.36 214
74 0.95 10
75 0.78 8
85 1.31 13
86 0.93 9
87 35.56 356
88 2.06 21
89 5.85 59
99 1.58 16
101 20.99 210
102 1.45 15
103 2.63 26
107 0.81 8
113 0.5 5
117 0.62 6
119 99.99 999
120 6.97 70
121 0.85 9
125 0.59 6
137 0.83 8
143 4.72 47
//