MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008702
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008702
RECORD_TITLE: O-METHYLBENZALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: O-METHYLBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8O
CH$EXACT_MASS: 120.05751
CH$SMILES: O=Cc(c1)c(C)ccc1
CH$IUPAC: InChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3
CH$LINK: INCHIKEY
BTFQKIATRPGRBS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1022051
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-00r6-9700000000-72d2bc27d082e353fdb5
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
27 1.83 18
29 3.68 37
37 1.36 14
38 3.12 31
39 16.24 162
41 1.68 17
50 5.5 55
51 7.31 73
52 1.61 16
53 1.23 12
60 1.15 12
61 2.22 22
62 5.6 56
63 15.4 154
64 3.07 31
65 24.34 243
66 1.52 15
74 2.17 22
75 1.2 12
77 1.53 15
86 1.41 14
87 1.06 11
89 8.08 81
90 4.37 44
91 99.99 999
92 11.14 111
119 86.03 860
120 89.03 890
121 6.65 67
//
system version 2.2.6-SNAPSHOT