MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006074
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006074
RECORD_TITLE: TRIETHYLENE GLYCOL MONOMETHYL ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: TRIETHYLENE GLYCOL MONOMETHYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H16O4
CH$EXACT_MASS: 164.10486
CH$SMILES: COCCOCCOCCO
CH$IUPAC: InChI=1S/C7H16O4/c1-9-4-5-11-7-6-10-3-2-8/h8H,2-7H2,1H3
CH$LINK: INCHIKEY
JLGLQAWTXXGVEM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5026912
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4s-9000000000-4dd56e60ba4fd46d4c26
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
29 3.43 34
31 4.51 45
43 2.33 23
44 9.03 90
45 88.18 882
58 51.91 519
59 99.99 999
60 4.37 44
72 1.04 10
73 1.45 15
75 5.86 59
76 1.18 12
87 11.14 111
88 12.14 121
89 58.5 585
90 3.74 37
101 3.57 36
102 8.75 88
103 9.44 94
119 7.62 76
133 3.22 32
//
system version 2.2.8-SNAPSHOT