CoreMS 4.0.0__py3-none-any.whl

corems/molecular_id/data/FAMES_REF.msp

@@ -0,0 +1,980 @@
+Name: Methyl Stearate
+RI: 1800.0
+RetentionTime: 19.663
+Comment: [Marker]
+QI=74.1
+FiehnRI=2712708
+Raw=050107-002.D RI=S.D [FAME]
+USI: EMSL:YMK-GC-20191015:NA:RT19.663:HPEUJPJOZXNMSJ-UHFFFAOYSA-N
+Num Peaks: 64
+53 14
+54 18
+55 267
+56 50
+57 178
+58 12
+59 89
+67 31
+68 15
+69 143
+70 25
+71 63
+72 5
+73 22
+74 1000
+75 208
+76 11
+79 9
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+267 40
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+269 20
+298 79
+299 17
+
+Name: Methyl Pelargonate
+RI: 900.0
+RetentionTime: 9.248
+Comment: [Marker]
+QI=74.05
+FiehnRI=527238
+Raw=050107-002.D RI=S.D [FAME]
+USI: EMSL:YMK-GC-20191015:NA:RT9.248:IJXHLVMUNBOGRR-UHFFFAOYSA-N
+Num Peaks: 35
+53 19
+54 13
+55 206
+56 42
+57 101
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+142 9
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+144 7
+172 7
+
+Name: Methyl Laurate
+RI: 1200.0
+RetentionTime: 13.25
+Comment: [Marker]
+QI=74.1
+FiehnRI=1089203
+Raw=050107-002.D RI=S.D [FAME]
+USI: EMSL:YMK-GC-20191015:NA:RT13.25:UQDUPQYQJKYHQI-UHFFFAOYSA-N
+Num Peaks: 45
+53 18
+54 16
+55 229
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+183 65
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+214 23
+
+Name: Methyl Myristate
+RI: 1400.0
+RetentionTime: 15.597
+Comment: [Marker]
+QI=74.1
+FiehnRI=1563808
+Raw=050107-002.D RI=S.D [FAME]
+USI: EMSL:YMK-GC-20191015:NA:RT15.597:ZAZKJZBWRNNLDS-UHFFFAOYSA-N
+Num Peaks: 51
+53 18
+54 16
+55 239
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+57 122
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+70 21
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+243 7
+
+Name: Methyl Palmitate
+RI: 1600.0
+RetentionTime: 17.723
+Comment: [Marker]
+QI=74.05
+FiehnRI=2107884
+Raw=050107-002.D RI=S.D [FAME]
+USI: EMSL:YMK-GC-20191015:NA:RT17.723:FLIACVVOZYBSBS-UHFFFAOYSA-N
+Num Peaks: 57
+53 16
+54 17
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+
+Name: Methyl Eicosanoate
+RI: 2000.0
+RetentionTime: 21.441
+Comment: [Marker]
+QI=74
+FiehnRI=3368090
+Raw=050107-002.D RI=S.D [FAME]
+USI: EMSL:YMK-GC-20191015:NA:RT21.441:QGBRLVONZXHAKJ-UHFFFAOYSA-N
+Num Peaks: 73
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+327 24
+
+Name: Methyl Hexacosanoate
+RI: 2600.0
+RetentionTime: 26.023
+Comment: [Marker]
+QI=74
+FiehnRI=5563663
+Raw=050107-002.D RI=S.D [FAME]
+USI: EMSL:YMK-GC-20191015:NA:RT26.023:VHUJBYYFFWDLNM-UHFFFAOYSA-N
+Num Peaks: 85
+53 14
+54 26
+55 328
+56 74
+57 356
+58 21
+59 67
+67 42
+68 21
+69 215
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+71 154
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+74 1000
+75 354
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+368 26
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+410 181
+411 53
+412 9
+
+Name: Methyl Lignocerate
+RI: 2400.0
+RetentionTime: 24.603
+Comment: [Marker]
+QI=74.1
+FiehnRI=4799845
+Raw=050107-002.D RI=S.D [FAME]
+USI: EMSL:YMK-GC-20191015:NA:RT24.603:XUDJZDNUVZHSKZ-UHFFFAOYSA-N
+Num Peaks: 80
+53 13
+54 23
+55 316
+56 66
+57 327
+58 20
+59 73
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+382 158
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+384 7
+
+Name: Methyl Octacosanoate
+RI: 2800.0
+RetentionTime: 27.349
+Comment: [Marker]
+QI=74
+FiehnRI=6349335
+Raw=050107-002.D RI=S.D [FAME]
+USI: EMSL:YMK-GC-20191015:NA:RT27.349:ZKHOYAKAFALNQD-UHFFFAOYSA-N
+Num Peaks: 89
+53 11
+54 23
+55 343
+56 84
+57 429
+58 24
+59 62
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+68 26
+69 229
+70 54
+71 195
+72 12
+73 27
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+75 390
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+438 213
+439 63
+440 12
+
+Name: Methyl Triacontanoate
+RI: 3000.0
+RetentionTime: 28.723
+Comment: [Marker]
+QI=74.05
+FiehnRI=7240314
+Raw=050107-002.D RI=S.D [FAME]
+USI: EMSL:YMK-GC-20191015:NA:RT28.723:BIRUBGLRQLAEFF-UHFFFAOYSA-N
+Num Peaks: 121
+53 11
+54 25
+55 321
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+
+Name: Methyl Caprate
+RI: 1000.0
+RetentionTime: 10.647
+Comment: [Marker]
+QI=74.1
+FiehnRI=692985
+Raw=050107-002.D RI=S.D\n[FAME]
+USI: EMSL:YMK-GC-20191015:NA:RT10.647:YRHYCMZPEVDGFQ-UHFFFAOYSA-N
+Num Peaks: 39
+53 19
+54 14
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+
+Name: Methyl Caprylate
+RI: 800.0
+RetentionTime: 7.812
+Comment: [Marker]
+QI=74.1
+FiehnRI=385824
+Raw=050107-002.D RI=S.D[FAME]
+USI: EMSL:YMK-GC-20191015:NA:RT7.812:JGHZJRVDZXSNKQ-UHFFFAOYSA-N
+Num Peaks: 35
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+
+Name: Methyl Docosanoate
+RI: 2200.0
+RetentionTime: 23.082
+Comment: [Marker]
+QI=74.1
+FiehnRI=4066492
+Raw=050107-002.D RI=S.D [FAME]
+USI: EMSL:YMK-GC-20191015:NA:RT23.082:QSQLTHHMFHEFIY-UHFFFAOYSA-N
+Num Peaks: 76
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+