MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009542
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009542
RECORD_TITLE: PARA-METHOXYTOLUENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA
CH$NAME: PARA-METHOXYTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10O
CH$EXACT_MASS: 122.07316
CH$SMILES: COc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3
CH$LINK: CAS
104-93-8
CH$LINK: INCHIKEY
CHLICZRVGGXEOD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9026710
AC$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 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00fr-9800000000-7bf81d1ff4cffad22e15
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
26 1.19 12
28 2.29 23
29 2.41 24
30 1.05 11
38 1.87 19
39 8.11 81
41 1.1 11
50 5.66 57
51 13.77 138
52 6.15 62
53 7.25 73
61 1.24 12
62 3.05 31
63 6.9 69
64 1.99 20
65 7.54 75
74 1.38 14
75 1.13 11
76 1.05 11
77 40.2 402
78 14.48 145
79 29.47 295
80 2.01 20
89 3.55 36
90 1.83 18
91 20.98 210
92 8.54 85
93 1.58 16
107 30.52 305
108 3.17 32
121 40.36 404
122 99.99 999
123 9.05 91
//
system version 2.2.6-SNAPSHOT