MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007430
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007430
RECORD_TITLE: 1-METHOXY-2-METHYLBENZENE; 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$NAME: 1-METHOXY-2-METHYLBENZENE
CH$NAME: ORTHO-METHYLANISOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10O
CH$EXACT_MASS: 122.07316
CH$SMILES: COc(c1)c(C)ccc1
CH$IUPAC: InChI=1S/C8H10O/c1-7-5-3-4-6-8(7)9-2/h3-6H,1-2H3
CH$LINK: CAS
578-58-5
CH$LINK: INCHIKEY
DTFKRVXLBCAIOZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9060368
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$SPLASH: splash10-00di-0900000000-fd744e4c067e97da8724
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
77 2.57 26
78 1.9 19
79 4.16 42
89 0.86 9
90 1.03 10
91 5.17 52
92 1.92 19
93 0.58 6
107 7.8 78
108 0.9 9
121 7.62 76
122 40.62 406
123 99.99 999
124 4.4 44
125 0.56 6
163 1.48 15
165 0.65 7
//